biobb-amber
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4.1.0 | biobb_amber-4.1.0-py3-none-any.whl |
Wheel Details
Project: | biobb-amber |
Version: | 4.1.0 |
Filename: | biobb_amber-4.1.0-py3-none-any.whl |
Download: | [link] |
Size: | 75781 |
MD5: | 3bdb737d9712526099d80aa3f8430ce0 |
SHA256: | eb55222707f37c1c6a02edb9af0569a8f421895a39bcf02b57b1ab7b0b589358 |
Uploaded: | 2023-09-06 08:36:26 +0000 |
dist-info
METADATA · WHEEL · RECORD · top_level.txt · entry_points.txt
METADATA
WHEEL
Wheel-Version: | 1.0 |
Generator: | bdist_wheel (0.38.4) |
Root-Is-Purelib: | true |
Tag: | py3-none-any |
RECORD
Path | Digest | Size |
---|---|---|
biobb_amber/__init__.py | sha256=JrwY1IxSFsp2cf5C5F4wDUb-ohg_jDSPvSGg5ZoUFjw | 155 |
biobb_amber/ambpdb/__init__.py | sha256=SiqT0UUAWlpfT2V8prZXdVuJbjt5tDlKsPbGyhocJwk | 43 |
biobb_amber/ambpdb/amber_to_pdb.py | sha256=V3nTz8XOZP8lxqlCxgZJOtP5vYfY4IpuR-BFJMMAQzk | 7407 |
biobb_amber/ambpdb/common.py | sha256=RFmuzSZScFZh9fcVbG0Txmei2orUfAlbzFB3chx3FIo | 1898 |
biobb_amber/cphstats/__init__.py | sha256=8aDcx0w2FKfiiX2QbGeQDNmdRoLZ7TXtXev09ivvJow | 60 |
biobb_amber/cphstats/cestats_run.py | sha256=Ckp4rHOcTHNrM4nPcmUpAzzGwRCEpgE0HxPw2yRtm4A | 17622 |
biobb_amber/cphstats/common.py | sha256=ZiKQ6-zJrfx6WXBOQJXHYlo7iA2ahygFG2AucOAMnIg | 2327 |
biobb_amber/cphstats/cphstats_run.py | sha256=VoDQboNxpXuf0LYji1Bie7JBI86Dr_F8X06kVP7rpvo | 17574 |
biobb_amber/cpptraj/__init__.py | sha256=wNXhghC7AQ0nE2PqANEx6Q5BbzGQuy_nviQuQzrEigM | 54 |
biobb_amber/cpptraj/common.py | sha256=LI9-t52ckyfdOt52mCr2lvRz6RKU5gHuS5EaXcQ2_UQ | 1968 |
biobb_amber/cpptraj/cpptraj_randomize_ions.py | sha256=Wh8t-yj-J0F7CluaT7K5907zje53ljn6JV2OJPW2-vk | 11027 |
biobb_amber/leap/__init__.py | sha256=NJ48TJCuG3fl0m_t_s19B5zDoxsRwj_ESIJf6s7xEsg | 105 |
biobb_amber/leap/common.py | sha256=weMNtF4JXyNTWbYdq1vA-hA1IiSUKNaA_nF8xqFwvuw | 2144 |
biobb_amber/leap/leap_add_ions.py | sha256=43EHmXFtCwcvvl-qSS-E3mFwe3U8iQuUlIfHrm4s1_I | 26378 |
biobb_amber/leap/leap_build_linear_structure.py | sha256=9RQkF6GrrfeYcDPCwv58JplYjcQ4DlPJwpHWB2HMzMA | 8046 |
biobb_amber/leap/leap_gen_top.py | sha256=4M9YeZX4gaxZw5zhj6Wn7zYQevOEUc14jEPFMGsvzG4 | 16671 |
biobb_amber/leap/leap_solvate.py | sha256=RHjqFSkgnb8rceiG4igjQOEkB0rSOXooebVaZNsqGbo | 21736 |
biobb_amber/nab/__init__.py | sha256=DDmamq21be40BUq30Eew0hqaYR9J2iOzWpUABbwZDYs | 51 |
biobb_amber/nab/common.py | sha256=SkiapPENoJQWq2Ger4JAqp4eWzOf0QM6jEySe15ABsI | 1769 |
biobb_amber/nab/nab_build_dna_structure.py | sha256=B219TB26mTFPgR5zXtKjihDja1igCKGwz0q9tiU5r-I | 8722 |
biobb_amber/parmed/__init__.py | sha256=JxZvcfLo-OZVs3UvG_tvGW1YOyCKKa8aRIySAySjMJM | 73 |
biobb_amber/parmed/common.py | sha256=y_VVwtU19H-6wRld1g5N3wCEjnJq7ee8QqmXv5oulS0 | 1887 |
biobb_amber/parmed/parmed_cpinutil.py | sha256=zF99n4uRCkIwJtnPbqiDq4HwIZtbeQ7CGEz93FHbSWU | 9081 |
biobb_amber/parmed/parmed_hmassrepartition.py | sha256=67L7j96c-BliYCW3lUplN3DItLUvvixBstjry8LMAVc | 7633 |
biobb_amber/pdb4amber/__init__.py | sha256=6gHiTJdYYwcMJ4J0eER3O8yQJgg010jTQ50NI86DgjI | 47 |
biobb_amber/pdb4amber/common.py | sha256=5uF4SUwuvWPELBNQS_qM5h1Uwr4oj_cFYApY5X6oS44 | 1810 |
biobb_amber/pdb4amber/pdb4amber_run.py | sha256=OAjuNH-pqR0Uhd5VNfupPqqDD0gc2VUWXdXwUPfHYh4 | 7603 |
biobb_amber/pmemd/__init__.py | sha256=_Xgj4LSm4kGUwtAkpGBnw2gV6DGCTilpw2ui_2G0OqI | 41 |
biobb_amber/pmemd/common.py | sha256=ayFmfgR6uuQo4BWV239Bp5S7aqZaPac4WYMQhMiJttU | 2414 |
biobb_amber/pmemd/pmemd_mdrun.py | sha256=RIfN8x7z1ZEvdWe-cT0HdAUEz76eusZhz_vBNk2T45M | 25615 |
biobb_amber/process/__init__.py | sha256=7nA_LdlUxySZ4vw4IoTk7nwVKTT9Q1y4v1ZrFJbrpF4 | 63 |
biobb_amber/process/common.py | sha256=oNFfalDzXijTCVg9BH6Ib1uCLmRoARlRCnRPfOYXDwY | 1841 |
biobb_amber/process/process_mdout.py | sha256=gmYdtCLRtWidPC9H-SW6mm9Hj9A7IpEJZ8Ceu4HZzi0 | 9046 |
biobb_amber/process/process_minout.py | sha256=Qv6mAiBFXSNEpm4Lz0zVISjBmhcnQBayxTDU5NwGilc | 9149 |
biobb_amber/sander/__init__.py | sha256=xTe16qHV5oW1uB9oRpIKOyuvbgvJQ4xhTqFLzx3zVtA | 43 |
biobb_amber/sander/common.py | sha256=Q1Urwu5OxsXUuEm_vzl6UgKPkkpieRNLpYRaAA8bcmU | 2472 |
biobb_amber/sander/sander_mdrun.py | sha256=wp-b92yOV9t1S-I4cWPK4haEkB-h90UI1uTO0BAlb1o | 29424 |
biobb_amber-4.1.0.dist-info/LICENSE | sha256=WNHhf_5RCaeuKWyq_K39vmp9F28LxKsB4SpomwSZ2L0 | 11357 |
biobb_amber-4.1.0.dist-info/METADATA | sha256=yH79KVEZCNaWy3-85men6nVPd8WdeB7d99_MbW-miCI | 1015 |
biobb_amber-4.1.0.dist-info/WHEEL | sha256=2wepM1nk4DS4eFpYrW1TTqPcoGNfHhhO_i5m4cOimbo | 92 |
biobb_amber-4.1.0.dist-info/entry_points.txt | sha256=sINagUP2tMeio3RGP_5HvbUpb9g3UXACcca0yoD9A0A | 954 |
biobb_amber-4.1.0.dist-info/top_level.txt | sha256=owMfE1goHtke6F2v_cKtVTHDzejjNpzuaci_hT0ISz0 | 12 |
biobb_amber-4.1.0.dist-info/RECORD | — | — |
top_level.txt
biobb_amber
entry_points.txt
amber_to_pdb = biobb_amber.ambpdb.amber_to_pdb:main
cestats_run = biobb_amber.cphstats.cestats_run:main
cphstats_run = biobb_amber.cphstats.cphstats_run:main
cpptraj_randomize_ions = biobb_amber.cpptraj.cpptraj_randomize_ions:main
leap_add_ions = biobb_amber.leap.leap_add_ions:main
leap_build_linear_structure = biobb_amber.leap.leap_build_linear_structure:main
leap_gen_top = biobb_amber.leap.leap_gen_top:main
leap_solvate = biobb_amber.leap.leap_solvate:main
nab_build_dna_structure = biobb_amber.nab.nab_build_dna_structure:main
parmed_cpinutil = biobb_amber.parmed.parmed_cpinutil:main
parmed_hmassrepartition = biobb_amber.parmed.parmed_hmassrepartition:main
pdb4amber_run = biobb_amber.pdb4amber.pdb4amber_run:main
pmemd_mdrun = biobb_amber.pmemd.pmemd_mdrun:main
process_mdout = biobb_amber.process.process_mdout:main
process_minout = biobb_amber.process.process_minout:main
sander_mdrun = biobb_amber.sander.sander_mdrun:main