pdbeccdutils
View on PyPI — Reverse Dependencies (0)
0.8.4 | pdbeccdutils-0.8.4-py3-none-any.whl |
Wheel Details
Project: | pdbeccdutils |
Version: | 0.8.4 |
Filename: | pdbeccdutils-0.8.4-py3-none-any.whl |
Download: | [link] |
Size: | 148841 |
MD5: | 39affaf0510e24e539eb19a0e23796d2 |
SHA256: | 18ac8c2e7784d35018fc4e97e64e9efec32c6d931449834e59bf1cf9734e872f |
Uploaded: | 2023-10-31 09:39:05 +0000 |
dist-info
METADATA · WHEEL · RECORD · top_level.txt · entry_points.txt
METADATA
WHEEL
Wheel-Version: | 1.0 |
Generator: | bdist_wheel (0.41.3) |
Root-Is-Purelib: | true |
Tag: | py3-none-any |
RECORD
Path | Digest | Size |
---|---|---|
doc/conf.py | sha256=8xhcDI0XxVsWXST35B_WMVxTsFxri9benMg_pRBOIY0 | 5104 |
pdbeccdutils/__init__.py | sha256=jhHEJFZWhkQDemoZMomBYq-RNrKXknYzUaeIU9A6XsI | 22 |
pdbeccdutils/computations/__init__.py | sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU | 0 |
pdbeccdutils/computations/parity_method.py | sha256=4IM0PMqeF23FhTNnfcii_eWLJfG84PQbncjaJWxUnB0 | 4000 |
pdbeccdutils/core/__init__.py | sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU | 0 |
pdbeccdutils/core/boundmolecule.py | sha256=kdWldf0lzybsoQorM4zZCpvuipLqFL2I1DzZ-wDlX8g | 11668 |
pdbeccdutils/core/ccd_reader.py | sha256=C6nlLGKd17aPtpBmGu2wNYExNZC-Hl3kPNhXtMaf4_A | 13164 |
pdbeccdutils/core/ccd_writer.py | sha256=WMz5kPS5fCQET-SO6IZM-wxIv5bWc_Kjk_zv929tWSA | 44183 |
pdbeccdutils/core/clc_reader.py | sha256=mfnNuh1BD9pT66X-BSTLWbKAHFJ25z7AsayHBcmXxHg | 21379 |
pdbeccdutils/core/clc_writer.py | sha256=W3i2-gDnLK_LwvoZSa5lbOpFsYROHggGRzyWt2QkkYY | 17458 |
pdbeccdutils/core/component.py | sha256=It4VDIe09ZTj4XYRTpi8VnUyiI9ve5bUkYsEkVcNwUg | 27323 |
pdbeccdutils/core/depictions.py | sha256=1ReiTK-bRFAAITjnG-rOQ1Q7SuEMhcc-11f-LxbRMsY | 15219 |
pdbeccdutils/core/exceptions.py | sha256=F7Ncls0MMDl7JTpQ2IwHoqtP3CdsJKu3M8AeZ9calK0 | 146 |
pdbeccdutils/core/fragment_library.py | sha256=3mFiWmRUDfKnaKjyJbFNntVENfphMqVoBDL1CV079Bo | 4029 |
pdbeccdutils/core/models.py | sha256=trBq0mOiDX4rLqlmdBIJwLbLOZHVrh0tJtUWwWKhLUs | 12731 |
pdbeccdutils/core/prd_reader.py | sha256=venhmlDQ1WHUuPPPDT0KFYLmL2uIbM4spRk_T7nCh48 | 8271 |
pdbeccdutils/core/prd_writer.py | sha256=enqFHCywBUfamiAyPRwOxgDU9By6kMpRfQwMooNtnw0 | 14037 |
pdbeccdutils/data/fragment_library.tsv | sha256=Rd8QSgC3YP23NUmklcEL3UqbX3O_A0TKEB9KNAEA3Wo | 160441 |
pdbeccdutils/data/coordgen_templates/templates.mae | sha256=y9SHHcighV51JTnvb-y6vm7ziWoiB0eHMhXEfmv9pU8 | 10551 |
pdbeccdutils/data/general_templates/adamantane.sdf | sha256=8E_S-w7KU2T-6xO5_sGewawL-_ZqUNyoPn2Aip5sNiY | 1075 |
pdbeccdutils/data/general_templates/cube.sdf | sha256=nsbjk_n0TgxqxnjOS_Ker_LlGeuaenpcRnUTG7gdaiA | 788 |
pdbeccdutils/data/general_templates/decahydrocorrin.sdf | sha256=OlcQeStgbqe4q7WJOW2arw6p2dqnUkJtCBIPgELgjsU | 2311 |
pdbeccdutils/data/general_templates/hem.sdf | sha256=GoMhl3U_c_0Nmhe2SNVLBuDI4Vs7gOIJiwCLJVx6mKc | 2310 |
pdbeccdutils/data/general_templates/nonbornane.sdf | sha256=BzsCDiGVkIP1poW-lOAh6V2Sq-9AatEEfzaxzIxhDSg | 777 |
pdbeccdutils/data/general_templates/phorbine.sdf | sha256=R88KdySGEcYqoOwyScPdnmDP4gXymewKsBD7cQeZw9s | 2434 |
pdbeccdutils/data/general_templates/porphin.sdf | sha256=E-Wxex3kkrFGoEi1eWNBeuCuf8PVaDs2pGkFAEhuwAc | 2408 |
pdbeccdutils/data/general_templates/porphycene.sdf | sha256=OVbvYzuzryXvOjW_29fGU-TQt7pmQIPNtUj_h-XfndU | 2278 |
pdbeccdutils/data/general_templates/ru_complex.sdf | sha256=nBpOSKfJ2MLhVZN36V8zF2cl_ph41R6vfQobVEWolgU | 3903 |
pdbeccdutils/data/general_templates/ru_complex2.sdf | sha256=KdkGxhmR_kYEkhY4qwevd08tmPvBFxtIDoATcPOGoWI | 3697 |
pdbeccdutils/helpers/__init__.py | sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU | 0 |
pdbeccdutils/helpers/cif_tools.py | sha256=i1bqCWBNZM1Fh4aKavvJP9Q6A0OjlH8KTe-1KWK5zcs | 9113 |
pdbeccdutils/helpers/conversions.py | sha256=lceBjUBMUjNmaQZeVjDKhc9l0Y59r5xvLinM2Y_z5j0 | 1544 |
pdbeccdutils/helpers/drawing.py | sha256=mCD4eLsNkHvpt1kd_33tGe3UopwbODOGBSkqkvPFQ8k | 11760 |
pdbeccdutils/helpers/helper.py | sha256=h2ow73lO6Eoik8XMTlfFXKnxCvat94atJDe5jeQD92g | 4485 |
pdbeccdutils/helpers/mol_tools.py | sha256=5ofMyAEeOiYBTLHFPQk2Bw-fuEEauLFj7cY3mxBqrBQ | 10216 |
pdbeccdutils/scripts/__init__.py | sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU | 0 |
pdbeccdutils/scripts/boundmolecule_cli.py | sha256=cn1nEex4KA9GxCQVk8MWS3w6Zv1_iDiytwfJNVHsC_U | 16148 |
pdbeccdutils/scripts/process_components_cif_cli.py | sha256=DDVDcc2XYYfNCLcr4dWBWXxGXbvfdE2DiRPkVU6bcH0 | 15620 |
pdbeccdutils/scripts/setup_pubchem_library_cli.py | sha256=OKppAjc0WCjoleedX_kZYcSBt_gmOrRVu7apJJsBBzs | 1465 |
pdbeccdutils/tests/conftest.py | sha256=nvr3j6fCT2KkQq4V_lIKy03yvCYvA0y6SMxjcwmy_2s | 1273 |
pdbeccdutils/tests/test_bound_molecule.py | sha256=RWPWN2L1ypHX5eIqBNFHWGO87k1TBeWr3-GZoX7QdRg | 2820 |
pdbeccdutils/tests/test_boundmolecule_cli.py | sha256=-uo9K-zr8kArQvnr7wbpDDYxNtEEbvdxhpblHqeAUhs | 4006 |
pdbeccdutils/tests/test_clc_reader.py | sha256=0sI_hpfaYYCIEM5WTZ-o5oCD9F18BWvZxI_QSCrG7Cg | 1257 |
pdbeccdutils/tests/test_clc_writer.py | sha256=Qg0X4AMD4cWpcU2FXxVMOCnaxNpcEcH2Dk3QXn77g8s | 1754 |
pdbeccdutils/tests/test_file_writing.py | sha256=-oCTXFwORr4mPslLGct66IJ7Rz0rcPCNz6rrNRnUgJQ | 10398 |
pdbeccdutils/tests/test_fragment_library.py | sha256=m2O_O854-KL6MW7npao64FwK-2i4uK5Q8VbrWLWPx_o | 552 |
pdbeccdutils/tests/test_helper_methods.py | sha256=8WwjCr4vstlnPjIulaEWlhSpm4ksIG9IM4T8b5yvxyo | 3620 |
pdbeccdutils/tests/test_inchi_key_matches.py | sha256=XgvJaIGWxD8_AgmVGrnhb1lx6LaIsbYeNyCaOArovf4 | 290 |
pdbeccdutils/tests/test_load_eoh_cif.py | sha256=6XGG_cuYSOYqCbELf7jwU-XMzEIvtOsJvDKur3gWch0 | 3422 |
pdbeccdutils/tests/test_parity.py | sha256=t6-I-OPJ1CyYEDvjgUwQqHlJi-nqZiB7r31pmJss3pk | 808 |
pdbeccdutils/tests/test_process_components_cif_cli.py | sha256=5pGCtnfj725PsWVZcmoWpnlRSDK1fAeamaObpEOcA0o | 8598 |
pdbeccdutils/tests/test_property_generation.py | sha256=Q20ZMm0vm4SPUcPCcdVJ94rsTO4C0se1Jtiz4u3caJo | 1820 |
pdbeccdutils/tests/test_rdkit_fixtures.py | sha256=6QdeSnWSOZ611Q_eR38PZxLdERXZKCuWTAzGK0O-Zbg | 1662 |
pdbeccdutils/tests/test_residue.py | sha256=mTv7N16MpaUzs7ygWcqIL55dXkLb2r3pzrVxF3fOKHE | 7604 |
pdbeccdutils/tests/test_scaffold_generation.py | sha256=jjbSq4WxEFHTOAoJJz3eMaxLneAxwnh5hxAh5J_NvHo | 1684 |
pdbeccdutils/tests/test_web_services.py | sha256=ZWr3r22qQkBONdDNzEOJCzj70Sy0mJPMDCCJfA9umIY | 1806 |
pdbeccdutils/tests/test_write_img.py | sha256=aX1UpB75wxZF8g3Z7cLoDGVw3EgFqTJWZ0VIVfxk5wI | 5326 |
pdbeccdutils/tests/tst_utilities.py | sha256=5rrVmrGO3xKbfHWOQjJdqpbWnBtAVV1gWWaudXm2gdY | 2955 |
pdbeccdutils/utils/__init__.py | sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU | 0 |
pdbeccdutils/utils/config.py | sha256=5UVyPEa_TJgksCJL4mdMvIXlk3Hlak4cgPfP3Ad0SyU | 457 |
pdbeccdutils/utils/pubchem_downloader.py | sha256=Ev5qV6TgBmYd9UdsRE8dPdI0JyLehx2gWSVFEu8PpRk | 4432 |
pdbeccdutils/utils/web_services.py | sha256=PufGe3e6n9qYbIABvF5AD7icyWBAEtf6kc2T9LXpLrs | 5241 |
pdbeccdutils-0.8.4.dist-info/LICENSE | sha256=tAkwu8-AdEyGxGoSvJ2gVmQdcicWw3j1ZZueVV74M-E | 11357 |
pdbeccdutils-0.8.4.dist-info/METADATA | sha256=LZP52XhaSyd6a7uzuboagtVNtA0KWMV0W4Pim1Ta5IY | 5201 |
pdbeccdutils-0.8.4.dist-info/WHEEL | sha256=Xo9-1PvkuimrydujYJAjF7pCkriuXBpUPEjma1nZyJ0 | 92 |
pdbeccdutils-0.8.4.dist-info/entry_points.txt | sha256=B3XOkXT5bA9ToCZh09agt9t6m_A2O1eXzjT7NHH_lAw | 236 |
pdbeccdutils-0.8.4.dist-info/top_level.txt | sha256=NKwAygOBx4ybtUmqAr-qmcGveKyLoZFQZkE0Rj-_Cs0 | 17 |
pdbeccdutils-0.8.4.dist-info/RECORD | — | — |
top_level.txt
doc
pdbeccdutils
entry_points.txt
process_components_cif = pdbeccdutils.scripts.process_components_cif_cli:main
read_boundmolecule = pdbeccdutils.scripts.boundmolecule_cli:run
setup_pubchem_library = pdbeccdutils.scripts.setup_pubchem_library_cli:main