metallicious
View on PyPI — Reverse Dependencies (0)
0.2.27 | metallicious-0.2.27-py3-none-any.whl |
Wheel Details
Project: | metallicious |
Version: | 0.2.27 |
Filename: | metallicious-0.2.27-py3-none-any.whl |
Download: | [link] |
Size: | 985687 |
MD5: | 241b22ed36c293f289df2d086a4cad60 |
SHA256: | 563a04a49b36cf34c4b3684f672cb890fd044d6677473c0c6a739d7381fbc4ea |
Uploaded: | 2023-11-23 13:37:30 +0000 |
dist-info
METADATA · WHEEL · RECORD · top_level.txt · entry_points.txt
METADATA
WHEEL
Wheel-Version: | 1.0 |
Generator: | bdist_wheel (0.40.0) |
Root-Is-Purelib: | true |
Tag: | py3-none-any |
RECORD
Path | Digest | Size |
---|---|---|
metallicious/__init__.py | sha256=0MFREQiKJhBw74goxECNvmPbFsnwC9_YzlsYGS3Oypk | 99 |
metallicious/__main__.py | sha256=fWxS84xaejVQo79GKVEbZ4Zo5c1EnIAJJsgShXO9iNg | 4685 |
metallicious/antechamber_interface.py | sha256=cO8Z6H_oTPISld37piBmLxnrwp5v8v9BV7SgcW9F65s | 7911 |
metallicious/charges.py | sha256=V8hpJ6bWSGQlRVYt3ZhfT8vgow_7IoVcuD4_4RakZaY | 13609 |
metallicious/copy_topology_params.py | sha256=SjVQa1SLPAi--Oe6JuU-bn6iOEmqV_plqL_2CduANvc | 35575 |
metallicious/data.py | sha256=fJ79I0S5ATOKh4MPm4KBIrh2LXeDOX85GzpaB_4pRko | 29955 |
metallicious/extract_metal_site.py | sha256=zHXkzDjar8ebFj9dX_J_GdtMNd3_uZuRokV3y_xCVu8 | 35082 |
metallicious/improper_torsion.py | sha256=Oi0eEBzXVyf0WiB8nzeXZpPn57OlIYShFCARaNgBpRU | 12592 |
metallicious/initial_site.py | sha256=gvsRmYx7GyH13CpxnaucRY6bmnSAE-K_E_N9y0t2kno | 2168 |
metallicious/load_fingerprint.py | sha256=xQiEtvtpeXHzuiWdtfonwhnKrvA1zRYzD9z4zyxz3jk | 18436 |
metallicious/log.py | sha256=Fv_adYxxmkeFIqFHPSHEY-FDsFLNZcC0KPMoFMUTuVQ | 924 |
metallicious/main.py | sha256=EcmqWuQf9E_n3jIYkAiAuGaGzaM-5HvWhJH_Yg1ksoo | 5710 |
metallicious/mapping.py | sha256=Py3Z_1vXDZlYnKvSosbEuxzNsQnJHsKsCutx99MBrNQ | 10102 |
metallicious/mod_seminario.py | sha256=bJzqHrj-y_GV5_-QSb__hcZc7588gKeDmzhOOS9Kzuk | 17311 |
metallicious/parametrize_new_sites.py | sha256=-mU41n-iuOOY-8JC6KhRBAPTGqz6I_PzfuaucU7hX8o | 19292 |
metallicious/prepare_initial_topology.py | sha256=meb0zvbU_urIPe2PQ-Gc6SfQCMBdIh-R8amjglDg9UI | 10451 |
metallicious/seminario.py | sha256=n2BjV3qO4np3whhbIhq5TZmK21EdPTJtGEuINkJ8GJ8 | 14673 |
metallicious/utils.py | sha256=OmQJucobx1En83wT-eHsGtH8b4FzF_J6S9weBnDV7SQ | 444 |
metallicious/examples/__init__.py | sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU | 0 |
metallicious/examples/example1/__init__.py | sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU | 0 |
metallicious/examples/example1/example1.py | sha256=mwvJhouUmIdYjwf1XXlguwws_fH-Ac_q4u4CRlNRvK4 | 403 |
metallicious/examples/example10_bulky_aromatics/__init__.py | sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU | 0 |
metallicious/examples/example10_bulky_aromatics/example10.py | sha256=Uz5Ie_ZJN0o6iN9VhnNiRXkCWzjKxU86vVAslpqK-nI | 427 |
metallicious/examples/example11_guess/__init__.py | sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU | 0 |
metallicious/examples/example11_guess/example11.py | sha256=o5hafCEy30Y8C-lrNM7PzClv9ajr2ZXZEJRAYeEDK4w | 1172 |
metallicious/examples/example13_covalent_metal/__init__.py | sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU | 0 |
metallicious/examples/example13_covalent_metal/example5.py | sha256=7ljrkam77crChfvxjLCE5jKGvCBrDrSHhox2kuxgDGw | 847 |
metallicious/examples/example14_partial_test/__init__.py | sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU | 0 |
metallicious/examples/example14_partial_test/example14.py | sha256=OtItTAaB4DhhzlWtm0ZS3ex44XAnd6pcFNCmKTAWRDA | 585 |
metallicious/examples/example15_seminario_test/__init__.py | sha256=a9oOTOPRC2sK68goIWPC_nS6iwQDTSj-fzpJzUvxpFQ | 38 |
metallicious/examples/example15_seminario_test/example15.py | sha256=iOo3hxun3p6LLNXx9-n4gJUZlGIavHmPlUwPX02dhtk | 13239 |
metallicious/examples/example2/__init__.py | sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU | 0 |
metallicious/examples/example2/example2.py | sha256=oBYR0clhk-h9I0FacmJPORpmVbSfSPqP8fFv4qteiDk | 790 |
metallicious/examples/example3_mof/__init__.py | sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU | 0 |
metallicious/examples/example3_mof/example3.py | sha256=4DkZRpvGnp585PlthMDQJNemSNosY8qo-d694ebiMCk | 544 |
metallicious/examples/example4/__init__.py | sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU | 0 |
metallicious/examples/example4/example3.py | sha256=2Za7eHsaI0NP5Jl-PB_l_pUkpSZviSZam5LmL262sfU | 479 |
metallicious/examples/example5/__init__.py | sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU | 0 |
metallicious/examples/example5/patch.py | sha256=QlsvRov_b_JSioWNALoiOKSYQu6AjQuC1NuzytkVBU4 | 475 |
metallicious/examples/example5_extract/__init__.py | sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU | 0 |
metallicious/examples/example5_extract/example5.py | sha256=Moq1B_CjgWc2QahY29BemCsOiV-vMKjhhKyAg6Bg2Dc | 1352 |
metallicious/examples/example6_extract_pbc/__init__.py | sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU | 0 |
metallicious/examples/example6_extract_pbc/example6.py | sha256=hyK0A5q076dJeznYqpc0kVBNyffemX0DOiN6omCNDNg | 963 |
metallicious/examples/example7/__init__.py | sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU | 0 |
metallicious/examples/example7/example7.py | sha256=m676BtB1YbFIM9tNFNCVIhWnHF6_-wf9HjV09vxtl5E | 1022 |
metallicious/examples/example8_protein/__init__.py | sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU | 0 |
metallicious/examples/example8_protein/example8.py | sha256=NPgV_tCnYvOL-ipxnNXMFreHrWWE9PCuYFfg9oIYs1k | 834 |
metallicious/examples/example9/__init__.py | sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU | 0 |
metallicious/examples/example9/example9.py | sha256=5msWqiuPS8HUYPi8Ch-qbqmyanjwdsZMzHx92ErMHE8 | 463 |
metallicious/examples/patch/__init__.py | sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU | 0 |
metallicious/examples/patch/example1/__init__.py | sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU | 0 |
metallicious/examples/patch/example1/patch.py | sha256=uAApugXagpmVmh5EqsYv6h0kBdlsiHroEUGkGdUvna0 | 542 |
metallicious/library/.Pd1.top.swn | sha256=fqFPn4A5k2_lPtW7SB26XTPBu7r_Y08dt9NTdO5lHck | 16384 |
metallicious/library/Co_2_merz-opc3_0.pdb | sha256=xMvMXSOEnLd4BCC6_quZfqHqvXeyLMdIsfy-LvQKXPk | 4096 |
metallicious/library/Co_2_merz-opc3_0.top | sha256=_8NBu3Sj5qmjH5BIfhV2OUZixQMYvao-eatvuNP3f_A | 21341 |
metallicious/library/Co_2_merz-opc_0.pdb | sha256=xMvMXSOEnLd4BCC6_quZfqHqvXeyLMdIsfy-LvQKXPk | 4096 |
metallicious/library/Co_2_merz-opc_0.top | sha256=TTZx_dK1oHmYP_0idZQ2-hz7m8NOnMcX3Rl-Fx6weME | 19481 |
metallicious/library/Co_2_merz-opc_1.pdb | sha256=xMvMXSOEnLd4BCC6_quZfqHqvXeyLMdIsfy-LvQKXPk | 4096 |
metallicious/library/Co_2_merz-opc_1.top | sha256=5mjoS-b_6zIhwF4aGu1NljHPBJ6i54VetQBuoVWFjAk | 19826 |
metallicious/library/Co_2_merz-opc_10.pdb | sha256=rJDxw2ibZMryyB1hbSeUCk6fnECJ4a6hZfkfF-Kxdck | 5635 |
metallicious/library/Co_2_merz-opc_10.top | sha256=2U_f-9Ehu5nsToKewyI8VOj1nIF4yWv9RBqA7PowZ9w | 32031 |
metallicious/library/Co_2_merz-opc_11.pdb | sha256=XMa5b9wP_3CTy5vTVU-5ZfUDIU293SWXYoqowbeKEaE | 5635 |
metallicious/library/Co_2_merz-opc_11.top | sha256=9JsplSS8fwms4DLiM9gBU1uOLXf_1Pza3McLmJi78zA | 32503 |
metallicious/library/Co_2_merz-opc_12.pdb | sha256=M-kzhImXoifbAIhJtLHhmqhywnHYu0qtYFKOwiv3a_U | 5635 |
metallicious/library/Co_2_merz-opc_12.top | sha256=xGYF-B2Fe1f9ZDadgDgB9J0ZNCukUuQvkX6mkogVZcA | 32038 |
metallicious/library/Co_2_merz-opc_13.pdb | sha256=ZnH8gi_mPzRH77hwOwMgmLg8UwF9p1Wj7HXFUnMZzOc | 5635 |
metallicious/library/Co_2_merz-opc_13.top | sha256=qdSymNM-_eBISytGbCbM0i_PSTtrwKeWDbMNn8hoFJ0 | 32033 |
metallicious/library/Co_2_merz-opc_14.pdb | sha256=M-kzhImXoifbAIhJtLHhmqhywnHYu0qtYFKOwiv3a_U | 5635 |
metallicious/library/Co_2_merz-opc_14.top | sha256=CDDwfPsQ72yG8cuOsQsJRaitMRGg6uhmEQvr3FiebQA | 32508 |
metallicious/library/Co_2_merz-opc_15.pdb | sha256=_IRoJSDtmbM7RgAJ66vhZAeio9AFOqKFC2HFtUQcRDc | 5635 |
metallicious/library/Co_2_merz-opc_15.top | sha256=HXOIv4j1azxvnkPeDQV3KX8nXYm5qU66tP_T_4WnIXU | 32036 |
metallicious/library/Co_2_merz-opc_16.pdb | sha256=qu8dQlTst4lzs_CyLWXkK9JtcitzSv2t-5mysOoRg5c | 5635 |
metallicious/library/Co_2_merz-opc_16.top | sha256=E6mBJJCHoAXezO78YZxLw01eX395eHup4webtIFiw98 | 32508 |
metallicious/library/Co_2_merz-opc_17.pdb | sha256=ZnH8gi_mPzRH77hwOwMgmLg8UwF9p1Wj7HXFUnMZzOc | 5635 |
metallicious/library/Co_2_merz-opc_17.top | sha256=V-MuXJrDssMgwAuKvLBG1UyShr1qoKTUmcDMBMcQ-3Y | 32505 |
metallicious/library/Co_2_merz-opc_18.pdb | sha256=q4Xua0DZsp5jIMSlJrahMCD2M-a3JYhRRcuBygj6XQM | 5635 |
metallicious/library/Co_2_merz-opc_18.top | sha256=7CoH1DCzXxwP3E-uG07lDET7kGADCyLGKTdGb_X1lCU | 32033 |
metallicious/library/Co_2_merz-opc_19.pdb | sha256=Sn94C-nJeKImvlPi2s_dCpbIc7deVSnUXNVmJZXZTKI | 5635 |
metallicious/library/Co_2_merz-opc_19.top | sha256=F3nwfbRwccMPln2n7DfqPGu930Ye3QAzmVemoxDe-UE | 32505 |
metallicious/library/Co_2_merz-opc_2.pdb | sha256=Rql0ED1mRle5B68vCxlrre41EM4mW92OTLH9IYxAvuQ | 4096 |
metallicious/library/Co_2_merz-opc_2.top | sha256=-GzWaGql5kwyxMdiWiqyngYf9spdI9frra4SxzIyGqM | 19480 |
metallicious/library/Co_2_merz-opc_3.pdb | sha256=W7Ru4cUnxKqeyB4-SBrsDMLd7xXSb4c5nsB1_r2i8As | 4096 |
metallicious/library/Co_2_merz-opc_3.top | sha256=eYjorFq2AFiXgwJf8IcMaE7u8SeeyaYLeT0f3kIGKX8 | 19827 |
metallicious/library/Co_2_merz-opc_4.pdb | sha256=1HJSOJcu0ePGv0eVIPq-iuJQjjgvoLQ4UM03F3hVVjg | 5635 |
metallicious/library/Co_2_merz-opc_4.top | sha256=4wZh4-_Z18UdTm57AkS_BCYsKeFeBbgWVzqP2f3XrXw | 32034 |
metallicious/library/Co_2_merz-opc_5.pdb | sha256=1HJSOJcu0ePGv0eVIPq-iuJQjjgvoLQ4UM03F3hVVjg | 5635 |
metallicious/library/Co_2_merz-opc_5.top | sha256=zr5lyFdV9AVr8Ep0cJK6iCy0nsGsnJA5QB1u9xb0ypc | 32508 |
metallicious/library/Co_2_merz-opc_6.pdb | sha256=iV96iqf6AxqlX8iBapj2cksyr-wYKivu0Mopqjmn7Q4 | 5635 |
metallicious/library/Co_2_merz-opc_6.top | sha256=CfzZdtENLanFUxySyaw79tiqlWH68XdODY0kBtkpFlI | 32036 |
metallicious/library/Co_2_merz-opc_7.pdb | sha256=QrMfUvYLpbJ3yaZTgcesmohpT9s8rYNLmhShv7AJv6U | 5635 |
metallicious/library/Co_2_merz-opc_7.top | sha256=afXXM9fQanxVhS9ebEGap-7Jc9wBJv1ARhE1DvL9pw0 | 32033 |
metallicious/library/Co_2_merz-opc_8.pdb | sha256=1HJSOJcu0ePGv0eVIPq-iuJQjjgvoLQ4UM03F3hVVjg | 5635 |
metallicious/library/Co_2_merz-opc_8.top | sha256=RC9-ogvWMgNLvZJcp0eiOKFXZkFe4lvQzmvf9oQs4bE | 32508 |
metallicious/library/Co_2_merz-opc_9.pdb | sha256=QrMfUvYLpbJ3yaZTgcesmohpT9s8rYNLmhShv7AJv6U | 5635 |
metallicious/library/Co_2_merz-opc_9.top | sha256=8j9jA7uGR3fw6PGmGXwdM9fKbvUaPTRt28zSZSu1Zho | 32503 |
metallicious/library/Co_2_merz-spce_0.pdb | sha256=xMvMXSOEnLd4BCC6_quZfqHqvXeyLMdIsfy-LvQKXPk | 4096 |
metallicious/library/Co_2_merz-spce_0.top | sha256=7Z8GIB7JPAa_wIo31bQ0N7phQibo95iUmQmZhzYkFLA | 21341 |
metallicious/library/Co_2_merz-tip3p-fb_0.pdb | sha256=xMvMXSOEnLd4BCC6_quZfqHqvXeyLMdIsfy-LvQKXPk | 4096 |
metallicious/library/Co_2_merz-tip3p-fb_0.top | sha256=IZXJKAMwIvsYgAcZMnDM_zOLzkmkIqXNl6U5Fegz73M | 21341 |
metallicious/library/Co_2_merz-tip3p_0.pdb | sha256=1HJSOJcu0ePGv0eVIPq-iuJQjjgvoLQ4UM03F3hVVjg | 5635 |
metallicious/library/Co_2_merz-tip3p_0.top | sha256=2HvKkVPbcWD2fd5MH2spsqVElw_zJx_C7nBYMDSwhJw | 32425 |
metallicious/library/Co_2_merz-tip3p_1.pdb | sha256=QrMfUvYLpbJ3yaZTgcesmohpT9s8rYNLmhShv7AJv6U | 5635 |
metallicious/library/Co_2_merz-tip3p_1.top | sha256=TTULm1MyZwgLd_SBONBhy-35EM8VLHL5ZFvOX3vZttk | 32425 |
metallicious/library/Co_2_merz-tip3p_2.pdb | sha256=M-kzhImXoifbAIhJtLHhmqhywnHYu0qtYFKOwiv3a_U | 5635 |
metallicious/library/Co_2_merz-tip3p_2.top | sha256=XmiyG7UPW_0dm5y2Su88U4n-g35qFLT4AEgufe6fW9A | 32425 |
metallicious/library/Co_2_merz-tip3p_3.pdb | sha256=ZnH8gi_mPzRH77hwOwMgmLg8UwF9p1Wj7HXFUnMZzOc | 5635 |
metallicious/library/Co_2_merz-tip3p_3.top | sha256=RQxZikIOzjgjr4zIq1ooyRd8RoU9oPcwErFxmqwSYnw | 32425 |
metallicious/library/Co_2_merz-tip3p_4.pdb | sha256=KtO4T_o8tWbPZYy6qKWIkEG3WNuaWDYZwUxQ3TMSdwU | 3205 |
metallicious/library/Co_2_merz-tip3p_4.top | sha256=n6tJZYfP0En6Bl2pspX77mznk8hqbThfhllTWgQtE5k | 15141 |
metallicious/library/Co_2_merz-tip3p_5.pdb | sha256=KtO4T_o8tWbPZYy6qKWIkEG3WNuaWDYZwUxQ3TMSdwU | 3205 |
metallicious/library/Co_2_merz-tip3p_5.top | sha256=mSgqg3fKvyyZrDoR7-x53aBNYPd_JgvXS072o0yCkMw | 15141 |
metallicious/library/Co_2_merz-tip3p_6.pdb | sha256=YGLhZHFVZy-3vzs9w1bOu9X9JDxVCytdOdc5y1xncKs | 5635 |
metallicious/library/Co_2_merz-tip3p_6.top | sha256=qc-JNMAZX0W_BkrMW5c864pmNliabsE9uOkgPcnTHAA | 32485 |
metallicious/library/Co_2_merz-tip4-ew_0.pdb | sha256=xMvMXSOEnLd4BCC6_quZfqHqvXeyLMdIsfy-LvQKXPk | 4096 |
metallicious/library/Co_2_merz-tip4-ew_0.top | sha256=Zz0xZ1yoLNkFUEEWeij70Yd-34oZBQzDiv071KZy39c | 21341 |
metallicious/library/Co_2_merz-tip4p-fb_0.pdb | sha256=xMvMXSOEnLd4BCC6_quZfqHqvXeyLMdIsfy-LvQKXPk | 4096 |
metallicious/library/Co_2_merz-tip4p-fb_0.top | sha256=NHgD6Tor36SYpPKDWTKB2c_oGdSQMim0GrU-mjbpvpI | 21341 |
metallicious/library/Co_2_uff_0.pdb | sha256=xMvMXSOEnLd4BCC6_quZfqHqvXeyLMdIsfy-LvQKXPk | 4096 |
metallicious/library/Co_2_uff_0.top | sha256=BaUTimt--ijsde2nIFpud0mZBMKg2P7AAqCVjE0Hq14 | 21341 |
metallicious/library/Co_2_zhang-opc3_0.pdb | sha256=xMvMXSOEnLd4BCC6_quZfqHqvXeyLMdIsfy-LvQKXPk | 4096 |
metallicious/library/Co_2_zhang-opc3_0.top | sha256=A3boceXkXy6fRuE__bB2VhPJ6aKGwD492cT-aOET4U4 | 21341 |
metallicious/library/Co_2_zhang-spce_0.pdb | sha256=xMvMXSOEnLd4BCC6_quZfqHqvXeyLMdIsfy-LvQKXPk | 4096 |
metallicious/library/Co_2_zhang-spce_0.top | sha256=IiUUs1WpDwNaKED8NG89RDsGvbnQYT45ga0rutB2nUw | 21341 |
metallicious/library/Co_2_zhang-spceb_0.pdb | sha256=xMvMXSOEnLd4BCC6_quZfqHqvXeyLMdIsfy-LvQKXPk | 4096 |
metallicious/library/Co_2_zhang-spceb_0.top | sha256=ZkUdO9--FsiDJJqpzYFJy8LR5XODc0XmtjJfUJ8r8Jk | 21341 |
metallicious/library/Co_2_zhang-tip3p-fb_0.pdb | sha256=xMvMXSOEnLd4BCC6_quZfqHqvXeyLMdIsfy-LvQKXPk | 4096 |
metallicious/library/Co_2_zhang-tip3p-fb_0.top | sha256=zItFjQ7xvZTroT2weeDprv-zBj4naYmBbt6ilcrePsQ | 21341 |
metallicious/library/Co_2_zhang-tip3p_0.pdb | sha256=xMvMXSOEnLd4BCC6_quZfqHqvXeyLMdIsfy-LvQKXPk | 4096 |
metallicious/library/Co_2_zhang-tip3p_0.top | sha256=X0fcizJCH2VkFWmlLBfMp1VdxHL-QRnTKEKNNqwhD8g | 21341 |
metallicious/library/Co_2_zhang-tip4p-d_0.pdb | sha256=xMvMXSOEnLd4BCC6_quZfqHqvXeyLMdIsfy-LvQKXPk | 4096 |
metallicious/library/Co_2_zhang-tip4p-d_0.top | sha256=I2DZ1BhQHK0YuFiX6Ofp0Zh84sS1qqY8krMCPG4-iE8 | 21341 |
metallicious/library/Co_2_zhang-tip4p-ew_0.pdb | sha256=xMvMXSOEnLd4BCC6_quZfqHqvXeyLMdIsfy-LvQKXPk | 4096 |
metallicious/library/Co_2_zhang-tip4p-ew_0.top | sha256=Cx_FF-HC09HM2FB-Pw3KqcsXVBO4uT4JEqFNNM2e61M | 21341 |
metallicious/library/Co_2_zhang-tip4p-fb_0.pdb | sha256=xMvMXSOEnLd4BCC6_quZfqHqvXeyLMdIsfy-LvQKXPk | 4096 |
metallicious/library/Co_2_zhang-tip4p-fb_0.top | sha256=v99aSiTgjXjqDGTh44iOyIoVOlFUBW-cCWHPg8vtGbE | 21341 |
metallicious/library/Co_2_zhang-tip4p2005_0.pdb | sha256=xMvMXSOEnLd4BCC6_quZfqHqvXeyLMdIsfy-LvQKXPk | 4096 |
metallicious/library/Co_2_zhang-tip4p2005_0.top | sha256=PjpGwg1F_-PPDXJgqit2swVALxegcVCqYtcKTzYXn9E | 21341 |
metallicious/library/Co_3_uff_0.pdb | sha256=wWaWZTEwxM08wOLqcxHECjYqf0x1bnxAe8hknlR9kxU | 5392 |
metallicious/library/Co_3_uff_0.top | sha256=wa_qmM10kU2achawurshhmc5p5G7dcn_qLuoSkHj8mQ | 52080 |
metallicious/library/Fe_2_merz-opc3_0.pdb | sha256=_4pM5iO7R4Hklsaw6bI4QC13sMvUsT_9hewmeYyGP6M | 6364 |
metallicious/library/Fe_2_merz-opc3_0.top | sha256=YV3U3RjGsOPBPl1MsUOj6T1JB81uOSLi5M6QH_43em0 | 56756 |
metallicious/library/Fe_2_merz-opc_0.pdb | sha256=ZXsYtU35IlgZ6FJL6r6nSVw4QhB-tBCFiCySnRxUnIk | 6364 |
metallicious/library/Fe_2_merz-opc_0.top | sha256=y2gXPm7B5L1xgdGJ-TCf7GilRGB40HjYsei0n9Ldbp0 | 36079 |
metallicious/library/Fe_2_merz-opc_1.pdb | sha256=P4qEBMux7vV8ONbwal2CnLyodB9wHw9YOTVEXCxD_r8 | 6364 |
metallicious/library/Fe_2_merz-opc_1.top | sha256=RtIUPcG5dLvitENgLKiGqjxxz43h4DNkWgBKe3k0fTw | 35795 |
metallicious/library/Fe_2_merz-opc_2.pdb | sha256=ZXsYtU35IlgZ6FJL6r6nSVw4QhB-tBCFiCySnRxUnIk | 6364 |
metallicious/library/Fe_2_merz-opc_2.top | sha256=ObDZF1le9F_hTqQkD2xX6CmO5lNwjg0NY6qXftYTm4Q | 36078 |
metallicious/library/Fe_2_merz-opc_3.pdb | sha256=q0MBmqUlh3eHnn5yUEaSh1IOh1XnzN8Rt_gf7Y4gLfM | 4906 |
metallicious/library/Fe_2_merz-opc_3.top | sha256=fqQM4HgOphWDgankg6xOm9jgFTQY-HgW_pgeV3AVcfE | 26577 |
metallicious/library/Fe_2_merz-opc_4.pdb | sha256=UBE3GjPTp4wRhdYiVLW6MFnrwlYi38DJzcAMR1DUKxo | 4906 |
metallicious/library/Fe_2_merz-opc_4.top | sha256=3oH0x4A3jq2AHa8E7AytrfVFuYl18bi9Lk7VJwJQx2c | 26577 |
metallicious/library/Fe_2_merz-opc_5.pdb | sha256=q0MBmqUlh3eHnn5yUEaSh1IOh1XnzN8Rt_gf7Y4gLfM | 4906 |
metallicious/library/Fe_2_merz-opc_5.top | sha256=rmsCkK6tBSNk88tY0A6fApMVWFPHtugb2i3gahh3DCE | 26797 |
metallicious/library/Fe_2_merz-opc_6.pdb | sha256=q0MBmqUlh3eHnn5yUEaSh1IOh1XnzN8Rt_gf7Y4gLfM | 4906 |
metallicious/library/Fe_2_merz-opc_6.top | sha256=KD7XEwC1908SiecuGUqE9c1JvlmiS0sOgUpPqmXHQPw | 26796 |
metallicious/library/Fe_2_merz-spce_0.pdb | sha256=_4pM5iO7R4Hklsaw6bI4QC13sMvUsT_9hewmeYyGP6M | 6364 |
metallicious/library/Fe_2_merz-spce_0.top | sha256=zzaKZ6QL1ltnc5W3XQgrGWpdIy25N1GU7zyPu1tubwU | 56755 |
metallicious/library/Fe_2_merz-tip3p-fb_0.pdb | sha256=_4pM5iO7R4Hklsaw6bI4QC13sMvUsT_9hewmeYyGP6M | 6364 |
metallicious/library/Fe_2_merz-tip3p-fb_0.top | sha256=ODND3R3aMArCkkjaU8QIV8OqETdI91kBQXlCOrwI1_Q | 56756 |
metallicious/library/Fe_2_merz-tip3p_0.pdb | sha256=-3M2rLIh1jP8pvEeovvIw2cqLBLSI9XRPx30XNGSfuk | 4906 |
metallicious/library/Fe_2_merz-tip3p_0.top | sha256=pMR_3cGQUiYannrOZCUAZ5heiT5BmoN3WrtpB9UXdwY | 26774 |
metallicious/library/Fe_3_merz-opc_0.pdb | sha256=Nqcqe9Kwv3_PKElPeQmijcO8Tt2Yk3ChKZGjIy9IECs | 4825 |
metallicious/library/Fe_3_merz-opc_0.top | sha256=0qNyp0GD-Maz22wOFmo897hpuMffEMMHdX2URIs2z2M | 28516 |
metallicious/library/Ga_3_uff_0.pdb | sha256=HFEvuqv68nqTqmVSVFRfNsXWpSIM7XL4LBDiMFGcbow | 3448 |
metallicious/library/Ga_3_uff_0.top | sha256=C-Lg2DoOgwAMg_xRWNQC9bl8hdT0Rub6dXdMTA3dvt0 | 18365 |
metallicious/library/Ga_3_uff_1.pdb | sha256=HFEvuqv68nqTqmVSVFRfNsXWpSIM7XL4LBDiMFGcbow | 3448 |
metallicious/library/Ga_3_uff_1.top | sha256=4eXe4dx926Gc8s6bkNj1hAHd5Q4hLQTXFpO3ih_iEtk | 18365 |
metallicious/library/Ga_3_uff_2.pdb | sha256=EnO15hLeu4B2NA_B7gjJbHb7Gbvg8cHgAvWF76w4FWc | 3448 |
metallicious/library/Ga_3_uff_2.top | sha256=YglzhkdqoxIn3ZR25Ky-h44LEaWP-tmfo7fHb_QUwkE | 18365 |
metallicious/library/Ga_3_uff_3.pdb | sha256=jqjrRTWQvaLmtIEwFqmSDHw8xTSu8o2U5dH4KnH8W4w | 3448 |
metallicious/library/Ga_3_uff_3.top | sha256=fdXE5KbEu2gmKLtTNBB4oKAqjuisFzEPZSY-FNULyLQ | 18365 |
metallicious/library/Ga_3_uff_4.pdb | sha256=EnO15hLeu4B2NA_B7gjJbHb7Gbvg8cHgAvWF76w4FWc | 3448 |
metallicious/library/Ga_3_uff_4.top | sha256=GGMxYH9uYGUQ_EBPxKWpGwmP9LKnZ8NjVRtJ8BOgXy4 | 18447 |
metallicious/library/Ga_3_uff_5.pdb | sha256=EnO15hLeu4B2NA_B7gjJbHb7Gbvg8cHgAvWF76w4FWc | 3448 |
metallicious/library/Ga_3_uff_5.top | sha256=arqw-_4Sw2u-vpwXKp_XwPWIPpJKwskHtYaNIJWpWAg | 18447 |
metallicious/library/Pd_2_merz-opc3_0.pdb | sha256=ejZ_3kLhFRKZmo3LhDLlTDif9DUMQQLCQ2iCv5KsGt4 | 4096 |
metallicious/library/Pd_2_merz-opc3_0.top | sha256=PlcPwatq6F3rA66AW7ZImDa0U2c31fB-l444i8KiZhk | 20873 |
metallicious/library/Pd_2_merz-opc3_1.pdb | sha256=TB2TtKP3jC1j7sxTL3qU1G0L7JS9RCvP419AeV_XiVI | 4258 |
metallicious/library/Pd_2_merz-opc3_1.top | sha256=T6dTicS_jt4dw5npJLk7Cp1MJ2AwQOoF1sWv7kazRYY | 22055 |
metallicious/library/Pd_2_merz-opc3_2.pdb | sha256=soyZvP8l-N0LzZ_CjeIlFSYTF73C9lhxDqMireTUMPU | 4096 |
metallicious/library/Pd_2_merz-opc3_2.top | sha256=bKp9Z8GJxbUtclaKiGdFP5mMkSFhNfIlD7yX2v71lqg | 20754 |
metallicious/library/Pd_2_merz-opc_0.pdb | sha256=qDZhooSOfRJAiMIb9oN_3X5tP_12Hm30jqeHbM4jP1s | 4096 |
metallicious/library/Pd_2_merz-opc_0.top | sha256=-SbpdTfpCAYTSEB7tdJzyiYFS_ffsFF_Ax6cy18xG6w | 20898 |
metallicious/library/Pd_2_merz-opc_1.pdb | sha256=soyZvP8l-N0LzZ_CjeIlFSYTF73C9lhxDqMireTUMPU | 4096 |
metallicious/library/Pd_2_merz-opc_1.top | sha256=YxX2rn2p8Cg2MdlXmIsQcqs2A2m-kaHPDQLrr0zO11Y | 20898 |
metallicious/library/Pd_2_merz-opc_10.pdb | sha256=ThUFZpFxRRfQNbL37S9Hizk0v5ykeHIDrYpzzu7bysE | 4258 |
metallicious/library/Pd_2_merz-opc_10.top | sha256=jzRYd1Mz7pTv4-J50VeKOfZxj4aOj9pNOWk4odo5n84 | 22066 |
metallicious/library/Pd_2_merz-opc_11.pdb | sha256=r3_f7vChZf2FxIKVwOUTiJCWYTLjRy2N2Z0uz3Ka8SU | 4096 |
metallicious/library/Pd_2_merz-opc_11.top | sha256=ODX-EK3VwAxbZEy5JwgnTBE7kLAEra84u024-lbeviM | 20884 |
metallicious/library/Pd_2_merz-opc_12.pdb | sha256=qDZhooSOfRJAiMIb9oN_3X5tP_12Hm30jqeHbM4jP1s | 4096 |
metallicious/library/Pd_2_merz-opc_12.top | sha256=lmGp9ytA4F8ElUs6uA51lplbMDDPsOzKbln3yGtacso | 20609 |
metallicious/library/Pd_2_merz-opc_13.pdb | sha256=qDZhooSOfRJAiMIb9oN_3X5tP_12Hm30jqeHbM4jP1s | 4096 |
metallicious/library/Pd_2_merz-opc_13.top | sha256=HOfsQRWpwwd07lQnmguNc4afVVsBYq6yx7eXoO1tZOU | 20609 |
metallicious/library/Pd_2_merz-opc_2.pdb | sha256=r3_f7vChZf2FxIKVwOUTiJCWYTLjRy2N2Z0uz3Ka8SU | 4096 |
metallicious/library/Pd_2_merz-opc_2.top | sha256=kFRCsUjwX162Wvr3TdFN4raGWKpcgngKXByR4dj7psM | 20884 |
metallicious/library/Pd_2_merz-opc_3.pdb | sha256=jBhf7JqRivEjM-WGNlAI7AmDM4dMdtcwvY-jZkoxnjs | 4258 |
metallicious/library/Pd_2_merz-opc_3.top | sha256=l27StJEoV3e2OkPsgPC-yP-tlLt81JS20H0rAN03D9A | 22064 |
metallicious/library/Pd_2_merz-opc_4.pdb | sha256=EohXYMPX0nVyUwh87yDvzY8b49_F1sf8mFmonJq1Drw | 4096 |
metallicious/library/Pd_2_merz-opc_4.top | sha256=tD4YU5SuJ8sZ0FNCtOnGS8xoE9lhHvwOyuyHmBrM_eU | 20552 |
metallicious/library/Pd_2_merz-opc_5.pdb | sha256=jBhf7JqRivEjM-WGNlAI7AmDM4dMdtcwvY-jZkoxnjs | 4258 |
metallicious/library/Pd_2_merz-opc_5.top | sha256=NVYCel3PVxgZTd7U0ag7J-WDn7vGOHwNJ024Ck8NrNo | 21842 |
metallicious/library/Pd_2_merz-opc_6.pdb | sha256=r3_f7vChZf2FxIKVwOUTiJCWYTLjRy2N2Z0uz3Ka8SU | 4096 |
metallicious/library/Pd_2_merz-opc_6.top | sha256=Aben26jRlMqej2JMtRam5WymegyOjMp9za4Aql6YKz0 | 20884 |
metallicious/library/Pd_2_merz-opc_7.pdb | sha256=jBhf7JqRivEjM-WGNlAI7AmDM4dMdtcwvY-jZkoxnjs | 4258 |
metallicious/library/Pd_2_merz-opc_7.top | sha256=42U7VJJOJQym1CB4OY9YfLgzFRpifQkdYPq-pCnbSx0 | 22064 |
metallicious/library/Pd_2_merz-opc_8.pdb | sha256=KSjw-Ecg-te2nYMvRShDlQ29WDe_XwdpA23U0mAoRnM | 4096 |
metallicious/library/Pd_2_merz-opc_8.top | sha256=NwlhVktSR-qSUplcs_m_4U497ZA92oCwBspdWPQmxZs | 20538 |
metallicious/library/Pd_2_merz-opc_9.pdb | sha256=soyZvP8l-N0LzZ_CjeIlFSYTF73C9lhxDqMireTUMPU | 4096 |
metallicious/library/Pd_2_merz-opc_9.top | sha256=6SwCewVh2MWUM-ZWphgGxkIEpuQQ7S8nMaKSPV18AJo | 20898 |
metallicious/library/Pd_2_merz-spce_0.pdb | sha256=ejZ_3kLhFRKZmo3LhDLlTDif9DUMQQLCQ2iCv5KsGt4 | 4096 |
metallicious/library/Pd_2_merz-spce_0.top | sha256=-drtEApXGu-suGC9tN8xcz0155jQQWCi2gIplivZ1aQ | 20874 |
metallicious/library/Pd_2_merz-spce_1.pdb | sha256=TB2TtKP3jC1j7sxTL3qU1G0L7JS9RCvP419AeV_XiVI | 4258 |
metallicious/library/Pd_2_merz-spce_1.top | sha256=_n3TnWprEw1nLYGolVDGiXl40McC0JuXmdHkzmOPt4Q | 22053 |
metallicious/library/Pd_2_merz-spce_2.pdb | sha256=soyZvP8l-N0LzZ_CjeIlFSYTF73C9lhxDqMireTUMPU | 4096 |
metallicious/library/Pd_2_merz-spce_2.top | sha256=BUcFpCcCc21nbBngGFyh4c5J0MCJOe0JKaznCpEn15M | 20754 |
metallicious/library/Pd_2_merz-tip3p-fb_0.pdb | sha256=ejZ_3kLhFRKZmo3LhDLlTDif9DUMQQLCQ2iCv5KsGt4 | 4096 |
metallicious/library/Pd_2_merz-tip3p-fb_0.top | sha256=-gqNG3uZaeKHUpZAHOk6OKf7SBQYEKMRWMKQlEpAhpE | 20873 |
metallicious/library/Pd_2_merz-tip3p-fb_1.pdb | sha256=TB2TtKP3jC1j7sxTL3qU1G0L7JS9RCvP419AeV_XiVI | 4258 |
metallicious/library/Pd_2_merz-tip3p-fb_1.top | sha256=b9sgzrdcI2OnnvZIwM3kZpVDA8ExTwdXiUBo1e_SsUY | 22055 |
metallicious/library/Pd_2_merz-tip3p-fb_2.pdb | sha256=soyZvP8l-N0LzZ_CjeIlFSYTF73C9lhxDqMireTUMPU | 4096 |
metallicious/library/Pd_2_merz-tip3p-fb_2.top | sha256=SfLHyD8AJdQ_nEmLQBm8QYTOZHF8j-nRIprxP6QZhLQ | 20755 |
metallicious/library/Pd_2_merz-tip3p_0.pdb | sha256=soyZvP8l-N0LzZ_CjeIlFSYTF73C9lhxDqMireTUMPU | 4096 |
metallicious/library/Pd_2_merz-tip3p_0.top | sha256=7gilncHuFKen_0jkV_a1nCRn5zszWt1DDlvor2FYDDk | 20754 |
metallicious/library/Pd_2_merz-tip3p_1.pdb | sha256=ejZ_3kLhFRKZmo3LhDLlTDif9DUMQQLCQ2iCv5KsGt4 | 4096 |
metallicious/library/Pd_2_merz-tip3p_1.top | sha256=y5jJRMQI41BghYb1vhKlyt0TX8p6b5KKvctQpW7JxjQ | 20874 |
metallicious/library/Pd_2_merz-tip3p_2.pdb | sha256=TB2TtKP3jC1j7sxTL3qU1G0L7JS9RCvP419AeV_XiVI | 4258 |
metallicious/library/Pd_2_merz-tip3p_2.top | sha256=0cDU2HICMbyiizwMK2cGkgvMpcI9UfrNM1uc9o_2Rl4 | 22055 |
metallicious/library/Pd_2_merz-tip4-ew_0.pdb | sha256=ejZ_3kLhFRKZmo3LhDLlTDif9DUMQQLCQ2iCv5KsGt4 | 4096 |
metallicious/library/Pd_2_merz-tip4-ew_0.top | sha256=vp-uiLlDdAErg9DNvseoIEKwKlRFh9DbQroXQoO7D28 | 20873 |
metallicious/library/Pd_2_merz-tip4-ew_1.pdb | sha256=TB2TtKP3jC1j7sxTL3qU1G0L7JS9RCvP419AeV_XiVI | 4258 |
metallicious/library/Pd_2_merz-tip4-ew_1.top | sha256=UHNKkjl37BQlSmERhU0xPXuOpKgjYJsseKlhDqw-_JY | 22053 |
metallicious/library/Pd_2_merz-tip4-ew_2.pdb | sha256=soyZvP8l-N0LzZ_CjeIlFSYTF73C9lhxDqMireTUMPU | 4096 |
metallicious/library/Pd_2_merz-tip4-ew_2.top | sha256=H7JeyMEZnZf03eLWdzg51PbYuJfquB5Q_IQXsfpPsk0 | 20754 |
metallicious/library/Pd_2_merz-tip4p-fb_0.pdb | sha256=ejZ_3kLhFRKZmo3LhDLlTDif9DUMQQLCQ2iCv5KsGt4 | 4096 |
metallicious/library/Pd_2_merz-tip4p-fb_0.top | sha256=8-i1n33BEphighVO8J9aFg82_jM4tiiCAIcrN1N-QZg | 20874 |
metallicious/library/Pd_2_merz-tip4p-fb_1.pdb | sha256=TB2TtKP3jC1j7sxTL3qU1G0L7JS9RCvP419AeV_XiVI | 4258 |
metallicious/library/Pd_2_merz-tip4p-fb_1.top | sha256=_3kchnOOUNvjQMhzAyI5mzajb5-fKigNwilCPk6aHjc | 22053 |
metallicious/library/Pd_2_merz-tip4p-fb_2.pdb | sha256=soyZvP8l-N0LzZ_CjeIlFSYTF73C9lhxDqMireTUMPU | 4096 |
metallicious/library/Pd_2_merz-tip4p-fb_2.top | sha256=VMsAxJff2s67C1WrpPxVr44q03ZMIABLK1f7Ngo6ilQ | 20755 |
metallicious/library/Pd_2_uff_0.pdb | sha256=6pIkz0lL1aSWoSGjR60NfdL5tulZYAAJOVF-qQ-z5bw | 4096 |
metallicious/library/Pd_2_uff_0.top | sha256=BDiwmNtzfLlR2gWh7I2MrjPYPbwnchBEhEno6V-9NQc | 20881 |
metallicious/library/Pd_2_uff_1.pdb | sha256=6pIkz0lL1aSWoSGjR60NfdL5tulZYAAJOVF-qQ-z5bw | 4096 |
metallicious/library/Pd_2_uff_1.top | sha256=WJtVZFW-05qA_3tsWcEmfaymJcsZjZjBm-Rsj5LuEPA | 20881 |
metallicious/library/Pd_2_uff_2.pdb | sha256=je-Ok1rUlOjQqHFJuhkzPhTgwpnLczJzbKgO4qbJ9pU | 4096 |
metallicious/library/Pd_2_uff_2.top | sha256=0J3GmG--k4MTMLCB2S4PBrmIw_AQ--dJ-RqAnJzAVbs | 20535 |
metallicious/library/Pd_2_uff_3.pdb | sha256=6pIkz0lL1aSWoSGjR60NfdL5tulZYAAJOVF-qQ-z5bw | 4096 |
metallicious/library/Pd_2_uff_3.top | sha256=BjvrygtyefafCEOBp0TyYHS8RgKmlTefoion6Dt_InA | 20881 |
metallicious/library/Ru_2_uff_0.pdb | sha256=vX9cBrdlvk0GhCRD4PmmctQpidIy4t0-p0X9-TBcp2U | 6607 |
metallicious/library/Ru_2_uff_0.top | sha256=hsX76knc6HZ5K7Lvel4pOVkcj-b_DInxBjMLahdNoHA | 41941 |
metallicious/library/Ru_2_uff_1.pdb | sha256=vX9cBrdlvk0GhCRD4PmmctQpidIy4t0-p0X9-TBcp2U | 6607 |
metallicious/library/Ru_2_uff_1.top | sha256=DFmKUhfwadoYeAvJh7rbloHsxbaH8hze54HpDY2IrTw | 41941 |
metallicious/library/Ru_2_uff_2.pdb | sha256=qdBpZeM7phK9eeWq5S7LdfhIi1Utrlkv5Wlz-rfc94E | 6607 |
metallicious/library/Ru_2_uff_2.top | sha256=8EH8AWwaclN53YgHEFjIOL_ma3WGGwzqN9nwqIAQhG8 | 41472 |
metallicious/library/Ru_2_uff_3.pdb | sha256=WLjqDp8XbygWNNFU-u_GK8aRmIzD4DrXEYQieWxta9Y | 6607 |
metallicious/library/Ru_2_uff_3.top | sha256=ZbjuPqwppVWbsO_eE3CiPcooXUKjwShHrLc3C87PU_c | 41941 |
metallicious/library/Zn_2_merz-opc3_0.pdb | sha256=_GRVV90FCa7rcBSfZlTVt37rlm0Zvgo9dyjm3FjmGdI | 4096 |
metallicious/library/Zn_2_merz-opc3_0.top | sha256=XncJnYTPUcDYHKkLAPJ9gXUQj86SOWAE637mhFxv61M | 19811 |
metallicious/library/Zn_2_merz-opc3_1.pdb | sha256=4uPIwt4ZcyUWjwk29Y1cFajydlNWhFEO7MnGPKJm02s | 5068 |
metallicious/library/Zn_2_merz-opc3_1.top | sha256=FRK-E46X6AQWjT-a-HkDjzBP06Zp7Rjap5am4D9__jI | 32699 |
metallicious/library/Zn_2_merz-opc_0.pdb | sha256=JVMOJm8IfU8NZg00z1KDOj8SjuhyV0jzNtSu-CUxe80 | 4096 |
metallicious/library/Zn_2_merz-opc_0.top | sha256=2w1wcK2KqHCmndwtkjbDjo7R0CIzdxsK3HxDIVF7WnQ | 19475 |
metallicious/library/Zn_2_merz-opc_1.pdb | sha256=t1LTZj8hj_tvqO-khVEveMPC41o0J00jokkLT4IwDNU | 3286 |
metallicious/library/Zn_2_merz-opc_1.top | sha256=bRJbRjWZqvRjaxKawn0BavC-Ba4SExuBuPKrcFiIhb4 | 15311 |
metallicious/library/Zn_2_merz-opc_10.pdb | sha256=TwQmhymPGz7Kg3RsPJ6n1UylG5ceC0XSCVMCJpbLx7I | 5068 |
metallicious/library/Zn_2_merz-opc_10.top | sha256=KJnsZtJWjoXZnq4qHdpYdmXlI9TNfsNAJrago5zTCA0 | 28742 |
metallicious/library/Zn_2_merz-opc_11.pdb | sha256=4Y-V4qkzd-nIaWtNNL_aEHwOnt3soRHtURjQaHfGwHg | 5068 |
metallicious/library/Zn_2_merz-opc_11.top | sha256=S1tLTEkHznIk-Q1ESXiUHEtpSnbRxK0_JfWygqk3rtw | 29090 |
metallicious/library/Zn_2_merz-opc_2.pdb | sha256=JVMOJm8IfU8NZg00z1KDOj8SjuhyV0jzNtSu-CUxe80 | 4096 |
metallicious/library/Zn_2_merz-opc_2.top | sha256=sTOv8JgmjbZCzGWpNeQ5rh27FyeHktK3sintyu_yNoM | 19821 |
metallicious/library/Zn_2_merz-opc_3.pdb | sha256=t1LTZj8hj_tvqO-khVEveMPC41o0J00jokkLT4IwDNU | 3286 |
metallicious/library/Zn_2_merz-opc_3.top | sha256=Uq3yN1l2xpIh6bAVX1sZxPCcvYMWfUSMFqCiYO_UXqA | 15531 |
metallicious/library/Zn_2_merz-opc_4.pdb | sha256=KbOItEQc_d33pVxUJQAtKwgu4-eLcvvyLcpZ3HMdL0Y | 4096 |
metallicious/library/Zn_2_merz-opc_4.top | sha256=SlMTm1lbC_AhPMFsJAeiq6kGJlvbcp95RNLqZrfGJu0 | 19475 |
metallicious/library/Zn_2_merz-opc_5.pdb | sha256=EaXRHtidAC2Wi3dDY0sX7qttwruLKDJa__gT4_VPwHA | 3286 |
metallicious/library/Zn_2_merz-opc_5.top | sha256=R2SqzTPSqa7pUwOlg4VuQt5c9RRnvkIiI0fW-FXtSak | 15313 |
metallicious/library/Zn_2_merz-opc_6.pdb | sha256=JVMOJm8IfU8NZg00z1KDOj8SjuhyV0jzNtSu-CUxe80 | 4096 |
metallicious/library/Zn_2_merz-opc_6.top | sha256=xKMIWJCKyZJNNX2d3ERCyEn-h078HLDQHgrpKBvG8pw | 19821 |
metallicious/library/Zn_2_merz-opc_7.pdb | sha256=nwu-Ciix0qtMI-Y6zBZqIFOYNIQb_63imok6CbRojj0 | 3286 |
metallicious/library/Zn_2_merz-opc_7.top | sha256=enhCuh3XVXaNKj9G8wehibphg29jcLej8OcIm2d5ip8 | 15533 |
metallicious/library/Zn_2_merz-opc_8.pdb | sha256=4Y-V4qkzd-nIaWtNNL_aEHwOnt3soRHtURjQaHfGwHg | 5068 |
metallicious/library/Zn_2_merz-opc_8.top | sha256=3c11F709RJyJ7dC7uW1vvp0q_WI_BbhRx3pdSdCTRsk | 28748 |
metallicious/library/Zn_2_merz-opc_9.pdb | sha256=4Y-V4qkzd-nIaWtNNL_aEHwOnt3soRHtURjQaHfGwHg | 5068 |
metallicious/library/Zn_2_merz-opc_9.top | sha256=pvw3Fp5iG5IpoGtm26iadrsp5PZRMxTZ330BlC3fwME | 29094 |
metallicious/library/Zn_2_merz-spce_0.pdb | sha256=_GRVV90FCa7rcBSfZlTVt37rlm0Zvgo9dyjm3FjmGdI | 4096 |
metallicious/library/Zn_2_merz-spce_0.top | sha256=VNDILU7ySakIaaHIWfPq4mK21JqnENclo3OpdqG-axI | 19810 |
metallicious/library/Zn_2_merz-spce_1.pdb | sha256=4uPIwt4ZcyUWjwk29Y1cFajydlNWhFEO7MnGPKJm02s | 5068 |
metallicious/library/Zn_2_merz-spce_1.top | sha256=uAuFxjzmqy_o6PxKqmcsYs5dvO2boaIgmQ6wo-ydNKQ | 32700 |
metallicious/library/Zn_2_merz-tip3p-fb_0.pdb | sha256=_GRVV90FCa7rcBSfZlTVt37rlm0Zvgo9dyjm3FjmGdI | 4096 |
metallicious/library/Zn_2_merz-tip3p-fb_0.top | sha256=mMZyKCQJ23g5t-6W9RRpB0yvMaNuG4ctbQiQ1Jtj6wc | 21336 |
metallicious/library/Zn_2_merz-tip3p-fb_1.pdb | sha256=4uPIwt4ZcyUWjwk29Y1cFajydlNWhFEO7MnGPKJm02s | 5068 |
metallicious/library/Zn_2_merz-tip3p-fb_1.top | sha256=QWQUfeskvqfEThhUyphHs1f1XMaZLaI2yD6kDrDlVRQ | 32700 |
metallicious/library/Zn_2_merz-tip3p_0.pdb | sha256=gbcuc-4lc6oS-3mEjS9LkIM7jEZ7RvYuKlkPNoyhGS0 | 5068 |
metallicious/library/Zn_2_merz-tip3p_0.top | sha256=2TH0Qgiw9mxok_AYqfFmKAcM5hVyGPBt_79GnPj5Qh4 | 29021 |
metallicious/library/Zn_2_merz-tip3p_1.pdb | sha256=4uPIwt4ZcyUWjwk29Y1cFajydlNWhFEO7MnGPKJm02s | 5068 |
metallicious/library/Zn_2_merz-tip3p_1.top | sha256=rtN1s_jjFl68fY372JSzOnLVonNolmwTZ6GQ_m5wF3c | 32700 |
metallicious/library/Zn_2_merz-tip4-ew_0.pdb | sha256=_GRVV90FCa7rcBSfZlTVt37rlm0Zvgo9dyjm3FjmGdI | 4096 |
metallicious/library/Zn_2_merz-tip4-ew_0.top | sha256=ZVSqFneLwJfh9-oC5E1LjMa25Ojpp2cFCbkvfCmp36A | 21336 |
metallicious/library/Zn_2_merz-tip4-ew_1.pdb | sha256=4uPIwt4ZcyUWjwk29Y1cFajydlNWhFEO7MnGPKJm02s | 5068 |
metallicious/library/Zn_2_merz-tip4-ew_1.top | sha256=nBXvy_doNwgN_QQp5crMCofj3ARZB6Q6Apzs1mCYnsY | 32700 |
metallicious/library/Zn_2_merz-tip4p-fb_0.pdb | sha256=_GRVV90FCa7rcBSfZlTVt37rlm0Zvgo9dyjm3FjmGdI | 4096 |
metallicious/library/Zn_2_merz-tip4p-fb_0.top | sha256=CS3PnNh1tlyw5JH7HmH2RdbA1L_cGSjcd6hTyaymAgk | 21336 |
metallicious/library/Zn_2_merz-tip4p-fb_1.pdb | sha256=4uPIwt4ZcyUWjwk29Y1cFajydlNWhFEO7MnGPKJm02s | 5068 |
metallicious/library/Zn_2_merz-tip4p-fb_1.top | sha256=nh0cXVZufYS5Kc3DnDiKmN72qWEa3B8qkcYd0_TIrTQ | 32699 |
metallicious/library/Zn_2_uff_0.pdb | sha256=qzVrh288Sao-e2OQ_jUI55Lsc-c-_3fGwVExYvYBCZk | 4015 |
metallicious/library/Zn_2_uff_0.top | sha256=NsH4jHwW_9xw8xryzI7Hp_CLVA9h_Fb0H-1N-gRgSrM | 18991 |
metallicious/library/Zn_2_uff_1.pdb | sha256=alBEaPixWwlISaSyziUbF7HRL05QPXYMlqw-WUgISmM | 3124 |
metallicious/library/Zn_2_uff_1.top | sha256=yhXTPKOhgIgbL10zPe9qVOwDbn1toK_XjxHrtQ2XH30 | 12507 |
metallicious/library/Zn_2_zhang-opc3_0.pdb | sha256=_GRVV90FCa7rcBSfZlTVt37rlm0Zvgo9dyjm3FjmGdI | 4096 |
metallicious/library/Zn_2_zhang-opc3_0.top | sha256=iUMGGZtDegzYLPK4JP0kvNGgCNIgImIpaeBimu-8-MQ | 21336 |
metallicious/library/Zn_2_zhang-opc3_1.pdb | sha256=4uPIwt4ZcyUWjwk29Y1cFajydlNWhFEO7MnGPKJm02s | 5068 |
metallicious/library/Zn_2_zhang-opc3_1.top | sha256=igOgQs8FZks_6xmhdAYv7ZJwCIOLphylY9vEfhRgpLI | 32699 |
metallicious/library/Zn_2_zhang-spce_0.pdb | sha256=_GRVV90FCa7rcBSfZlTVt37rlm0Zvgo9dyjm3FjmGdI | 4096 |
metallicious/library/Zn_2_zhang-spce_0.top | sha256=ye6eAQ64KSEI5nPG4qW-sGvwMVCnAzL-_XBETx-VZHY | 21336 |
metallicious/library/Zn_2_zhang-spce_1.pdb | sha256=4uPIwt4ZcyUWjwk29Y1cFajydlNWhFEO7MnGPKJm02s | 5068 |
metallicious/library/Zn_2_zhang-spce_1.top | sha256=biTzO6qE6XFjpAS7imqxd1pQkMh8svUZQhuzuXd5rFQ | 32699 |
metallicious/library/Zn_2_zhang-spceb_0.pdb | sha256=_GRVV90FCa7rcBSfZlTVt37rlm0Zvgo9dyjm3FjmGdI | 4096 |
metallicious/library/Zn_2_zhang-spceb_0.top | sha256=97anbRJahnSQXWmV0871Fdb2RVUqIui621anlZOe33U | 21336 |
metallicious/library/Zn_2_zhang-spceb_1.pdb | sha256=4uPIwt4ZcyUWjwk29Y1cFajydlNWhFEO7MnGPKJm02s | 5068 |
metallicious/library/Zn_2_zhang-spceb_1.top | sha256=MmgtzxSEPSiEo_7v0SNfLgS4EtqOih-F1KmpZmJ35mQ | 32699 |
metallicious/library/Zn_2_zhang-tip3p-fb_0.pdb | sha256=_GRVV90FCa7rcBSfZlTVt37rlm0Zvgo9dyjm3FjmGdI | 4096 |
metallicious/library/Zn_2_zhang-tip3p-fb_0.top | sha256=vt8fcIwSZV4Ce2tleoJW9TrYOxeJ9V3SN4g51US-89Y | 21336 |
metallicious/library/Zn_2_zhang-tip3p-fb_1.pdb | sha256=4uPIwt4ZcyUWjwk29Y1cFajydlNWhFEO7MnGPKJm02s | 5068 |
metallicious/library/Zn_2_zhang-tip3p-fb_1.top | sha256=k2uZAhgTrCUrrD22uVI0i5hO_wafDGJGgIPQazD91Ho | 32699 |
metallicious/library/Zn_2_zhang-tip3p_0.pdb | sha256=_GRVV90FCa7rcBSfZlTVt37rlm0Zvgo9dyjm3FjmGdI | 4096 |
metallicious/library/Zn_2_zhang-tip3p_0.top | sha256=ggsJ_vxFUwae9rx891IELRohZfbHwRVkn_Nki_GEjS0 | 21336 |
metallicious/library/Zn_2_zhang-tip3p_1.pdb | sha256=4uPIwt4ZcyUWjwk29Y1cFajydlNWhFEO7MnGPKJm02s | 5068 |
metallicious/library/Zn_2_zhang-tip3p_1.top | sha256=Zfj9yiBHcbVYLqFK9pHk3VeUCu0RcuEeU_kGm2dHOJg | 32699 |
metallicious/library/Zn_2_zhang-tip4p-d_0.pdb | sha256=_GRVV90FCa7rcBSfZlTVt37rlm0Zvgo9dyjm3FjmGdI | 4096 |
metallicious/library/Zn_2_zhang-tip4p-d_0.top | sha256=gh2tGqFQvWKVFnmd4XcNof8CuhBpNypkBDmAD7_H-7w | 21336 |
metallicious/library/Zn_2_zhang-tip4p-d_1.pdb | sha256=4uPIwt4ZcyUWjwk29Y1cFajydlNWhFEO7MnGPKJm02s | 5068 |
metallicious/library/Zn_2_zhang-tip4p-d_1.top | sha256=-kr55SAii6v2CmwhHtHI5kfO2nCwpdmVhbk8HlNr8ao | 32699 |
metallicious/library/Zn_2_zhang-tip4p-ew_0.pdb | sha256=_GRVV90FCa7rcBSfZlTVt37rlm0Zvgo9dyjm3FjmGdI | 4096 |
metallicious/library/Zn_2_zhang-tip4p-ew_0.top | sha256=MUiHp6BRi4-DceiA2Tk_euaWjUg-hJxAkez2WwebbyQ | 21336 |
metallicious/library/Zn_2_zhang-tip4p-ew_1.pdb | sha256=4uPIwt4ZcyUWjwk29Y1cFajydlNWhFEO7MnGPKJm02s | 5068 |
metallicious/library/Zn_2_zhang-tip4p-ew_1.top | sha256=aIBq9hvCBBCM7FmnjFZQuZg28kT_vFzJC3YrfqmPNDg | 32699 |
metallicious/library/Zn_2_zhang-tip4p-fb_0.pdb | sha256=_GRVV90FCa7rcBSfZlTVt37rlm0Zvgo9dyjm3FjmGdI | 4096 |
metallicious/library/Zn_2_zhang-tip4p-fb_0.top | sha256=b5rxFJsMpVcySUSTd2ik-Anz8ZGpkMKQCvhiASOLO30 | 21336 |
metallicious/library/Zn_2_zhang-tip4p-fb_1.pdb | sha256=4uPIwt4ZcyUWjwk29Y1cFajydlNWhFEO7MnGPKJm02s | 5068 |
metallicious/library/Zn_2_zhang-tip4p-fb_1.top | sha256=9di-DlwkdrGltghBeDvDRRnexOifY5okGjTGWYye6Do | 32699 |
metallicious/library/Zn_2_zhang-tip4p2005_0.pdb | sha256=_GRVV90FCa7rcBSfZlTVt37rlm0Zvgo9dyjm3FjmGdI | 4096 |
metallicious/library/Zn_2_zhang-tip4p2005_0.top | sha256=ZjxAt0KItqCgbdtC5WEAhaUmiOATrcDJRJ4cAEDY694 | 21336 |
metallicious/library/Zn_2_zhang-tip4p2005_1.pdb | sha256=4uPIwt4ZcyUWjwk29Y1cFajydlNWhFEO7MnGPKJm02s | 5068 |
metallicious/library/Zn_2_zhang-tip4p2005_1.top | sha256=U4f3-Tp3s5GrNO9BkZb5pMT0cGhNz4Ackf19l5saTmQ | 32699 |
metallicious/library/__init__.py | sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU | 0 |
metallicious-0.2.27.dist-info/METADATA | sha256=zx5Kydo7fkyrpKZsU5BZSAhZc9NB2fLNuOM8nm9RzT4 | 195 |
metallicious-0.2.27.dist-info/WHEEL | sha256=pkctZYzUS4AYVn6dJ-7367OJZivF2e8RA9b_ZBjif18 | 92 |
metallicious-0.2.27.dist-info/entry_points.txt | sha256=ehF_WAtWcenuurjayTeCKxljZJqfi-_qsi5dDxA-zuE | 60 |
metallicious-0.2.27.dist-info/top_level.txt | sha256=lhxXkktm3fJlq35wfAlJ6ZdOvJEvj5vzV4F_HOt8hXk | 13 |
metallicious-0.2.27.dist-info/RECORD | — | — |
top_level.txt
metallicious
entry_points.txt
metallicious = metallicious.__main__:main