GromacsWrapper
View on PyPI — Reverse Dependencies (3)
0.9.1 | GromacsWrapper-0.9.1-py3-none-any.whl |
Wheel Details
Project: | GromacsWrapper |
Version: | 0.9.1 |
Filename: | GromacsWrapper-0.9.1-py3-none-any.whl |
Download: | [link] |
Size: | 188698 |
MD5: | e6eed0679a567c3b1578338421d93587 |
SHA256: | 50dc1f2e9c87347e95c4e981e9e797497ea6f6f8149c9da3df4b399f6b4d16a7 |
Uploaded: | 2024-09-19 01:46:02 +0000 |
dist-info
METADATA · WHEEL · RECORD · top_level.txt
METADATA
WHEEL
Wheel-Version: | 1.0 |
Generator: | setuptools (75.1.0) |
Root-Is-Purelib: | true |
Tag: | py3-none-any |
RECORD
Path | Digest | Size |
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doc/sphinx/source/conf.py | sha256=6ok4G6MtKVMCu-Qo5K0lZOEsXcarG7gVw_7n5WZGYr0 | 7549 |
gromacs/__init__.py | sha256=mYDjO6TCYTjWW1oYsGXLaXfTgL8o9gWUVfkdLfSILUk | 11752 |
gromacs/_version.py | sha256=UwJXM8JY2T3tE2id0K2k_lEaVThbRTrGO1mNibyzIz8 | 22 |
gromacs/cbook.py | sha256=tivR5kyUFIar2LCjzcIDl-jR2xvfgAcM_aw8K-nokjY | 92771 |
gromacs/collections.py | sha256=CM6U8eDA2uRB1XEZx1vswJHmWlMujpcwREWdzkH6AU4 | 4263 |
gromacs/config.py | sha256=46qkEqggRxVuEHcf8hCkiveu03eKb1BiuohxgZ3Zy-g | 25583 |
gromacs/core.py | sha256=Go4eKwMr2kIgPLkU3iKb2iR_xxUbIjh9icHqGYpfZ48 | 30130 |
gromacs/environment.py | sha256=O_WOK4EGQhiLqWb09XE4TvsT8XL2I65aA3Ir34d4NfI | 8102 |
gromacs/exceptions.py | sha256=-PsWC-VlBlF7yHYY9ErK42-4aU-cH1qjxodOEkKUDRM | 2006 |
gromacs/formats.py | sha256=aEKCJxfCyS0UX5Ey7b0n8MQWE9bGn5gfS7bhi56PHZc | 1400 |
gromacs/log.py | sha256=eDGP0wdnbTg2F22EORLm8AwX-hFDNMzkCygtslkUMrU | 3624 |
gromacs/qsub.py | sha256=HVI_UkHw9D68F7ya2t7xJOY0lVKgXqHig8ZE85o6OpM | 19978 |
gromacs/run.py | sha256=HZtNOBezTtWsJX6eagyslxQWdHnG_g0_3oqdspcRP_I | 16184 |
gromacs/scaling.py | sha256=MiTy01Ms9rnFRNhwZuDiCTItrnKE-91SozXCo2dKkDo | 10465 |
gromacs/setup.py | sha256=i0TSIw_tjk0D5Ic-qbw97hSYsGWb-Lw7_kTtUBvtlLU | 48808 |
gromacs/tools.py | sha256=wrpBa4fOy0npl_D5RE9z1AwMGcueBGHh_GMQQ218NeQ | 21293 |
gromacs/utilities.py | sha256=IBM-zQzIbHNYljU7aoIBYh6YPcDNQu1NFnv_WXQDduo | 28340 |
gromacs/fileformats/__init__.py | sha256=PxgEV4y321OyWtV6qE5rT0sJXQUBJ0v-jv_9Gxdzjfs | 405 |
gromacs/fileformats/blocks.py | sha256=2vXTfd4ujynvvVECjywR7eKymPHSKk8uTI1pF9kLoHg | 21079 |
gromacs/fileformats/convert.py | sha256=qLwWc8BcC-7oLD_bxBWqWdHuYezuXwP-hOnh5MzkVMs | 8311 |
gromacs/fileformats/mdp.py | sha256=y59x3uZ8nBbq-MfyLz6GMU_1A2IXSJVyoxsSj6GsEfI | 5804 |
gromacs/fileformats/ndx.py | sha256=--S1NfkvN4KLlpoRz6_ZwzcCLsVtZzEcX2RnKzUIgKk | 7989 |
gromacs/fileformats/top.py | sha256=iOWOnzQ_BE2diZky4qRin9h8810vd8JpAfYurN6i760 | 57878 |
gromacs/fileformats/xpm.py | sha256=_fL8Q4prtvJ2pQ1t7PVDobFwAMVw8SvW0e1SBPNzVlI | 10549 |
gromacs/fileformats/xvg.py | sha256=6Oy8O_fwl4kCY-ZCZHksoC471PYp2hK9u93ImD64AF8 | 51661 |
gromacs/templates/darwin.sh | sha256=fGOAvXmbzJAOsnGxHDmBuLSn5N6ri9ufI_6b_4Y7WSY | 501 |
gromacs/templates/em.mdp | sha256=HBufx6YtNEweLDEzhxrb-30xNaES403NGOG1OdVzT-E | 1194 |
gromacs/templates/gromacswrapper.cfg | sha256=q5qHhcT-jIU39H7aGrJ031kI0haRym-oSxXyA3T8CrQ | 1298 |
gromacs/templates/gromacswrapper_465.cfg | sha256=6KkmP64EIlrZINKMjw0zacpk8zYTkjRG7b4FIoyg7ZQ | 2290 |
gromacs/templates/local.sh | sha256=CeijOp_TdV0WKYANq17WAcCo9IaUJK4ZoFr4rcOk6gE | 487 |
gromacs/templates/md_CHARMM27.mdp | sha256=tdq1RNyRB4MtX7pB1pE5A2Qr1QjS1qxla10H3rPiPB4 | 3839 |
gromacs/templates/md_CHARMM27_gpu.mdp | sha256=uM_vjR2AbGLC8eMZekZOZUj8cId4vU-R-1fzVbaqRcA | 4372 |
gromacs/templates/md_G43a1.mdp | sha256=KRUJuFdVVzpT60WfmIemMqOLIRVu58BwQ3eVCCYo4sY | 1998 |
gromacs/templates/md_OPLSAA.mdp | sha256=HBs9V_p-vCizjyzVu2WwqxiekV8aaIZDEMWM6vNTuJ8 | 3200 |
gromacs/templates/md_OPLSAA_gpu.mdp | sha256=vHJebsr7W8-r4_YfyR6NdxX5L7jyqCMzIMnV2nIQlHc | 3271 |
tests/fileformats/__init__.py | sha256=52YanMHl-5U2dWTEMlgSE1E08JFEkYcdSn94wMAL2Is | 187 |
tests/fileformats/test_convert.py | sha256=lUuibICjFYlMPKAmzuncCY_iH-xw1_bSMCpEefcdC90 | 2068 |
tests/fileformats/test_mdp.py | sha256=hbCZvIePwAfqA5C1h-lOfNk56VX_kNI5VVAk3YrtJIs | 3382 |
tests/fileformats/test_ndx.py | sha256=A5ms2vwqVNwtNVJ3wdYnxCfKFcRNtlzcBYXVLNCpDsM | 1347 |
tests/fileformats/test_xpm.py | sha256=n_j6qiVZiRIoexyHNTtKjUu2I-WD6_ZdGpeO_5n3INw | 1220 |
tests/fileformats/test_xvg.py | sha256=OMtqYSE0ph6N3fkqJc-11Pdtxf162gelgHsACxaVS6Q | 3235 |
tests/fileformats/top/__init__.py | sha256=52YanMHl-5U2dWTEMlgSE1E08JFEkYcdSn94wMAL2Is | 187 |
tests/fileformats/top/test_TOP.py | sha256=ygn-yeylJ0c7yCjkjbQn87LF6OPANWmBiP5EVUE-aXI | 3142 |
tests/fileformats/top/test_amber03star.py | sha256=NXlKQYA4xPT9z096QKXfqMuo6SXYeF5h8mqsQ69smu4 | 1035 |
tests/fileformats/top/test_amber03w.py | sha256=wXVyL4O2M3xyQiom5JtFsiNOetD8ZShNSK4xVk81GVY | 1028 |
tests/fileformats/top/test_charmm22.py | sha256=UPRa0MkOqG_fzeUwgxpgjhnH6TQlG_Yho0D5pQ_GPug | 590 |
tests/fileformats/top/top.py | sha256=VrPrnZI4Ukwxx6tmc4mKSl48W0XSuVfkOy9MoHBnrSQ | 7489 |
GromacsWrapper-0.9.1.dist-info/AUTHORS | sha256=Ox_xxtareLQvRaom4D0CL-C5Fnm8jGbVdq0wQV7tzBk | 1093 |
GromacsWrapper-0.9.1.dist-info/COPYING | sha256=jOtLnuWt7d5Hsx6XXB2QxzrSe2sWWh3NgMfFRetluQM | 35147 |
GromacsWrapper-0.9.1.dist-info/METADATA | sha256=oWclht9lz3tT4AIZ9U-4isyWTEnWZYCz_a8AnsfJ894 | 8546 |
GromacsWrapper-0.9.1.dist-info/WHEEL | sha256=GV9aMThwP_4oNCtvEC2ec3qUYutgWeAzklro_0m4WJQ | 91 |
GromacsWrapper-0.9.1.dist-info/top_level.txt | sha256=PTbIYQB-VW_5JclPhHdCVYmjabIT7DT2VPMiXkxeXwo | 26 |
GromacsWrapper-0.9.1.dist-info/RECORD | — | — |
top_level.txt
ci
dist
doc
gromacs
tests