python3-openmm (8.1.2+dfsg-12+b1)
Details
Core information at a glance
- Distribution
- debian
- Origin
- debian-forky
- Repository
- https://deb.debian.org/debian
- Codename
- forky
- Component
- main
- Source
- openmm (8.1.2+dfsg-12)
- Architecture
- s390x
- Section
- python
- Priority
- optional
- Maintainer
- Debichem Team <[email protected]>
Size & integrity
Byte sizes and integrity verification
- Installed size
- 83.2 kB
- Size expected
- 6.8 MB
- Size actual
- 6.8 MB
- Size match
Dependencies
Required package dependencies
Suggested packages
Recommended additional packages
- None
Description
Python bindings for the OpenMM molecular simulation package
Tags
Package classification tags
None
Checksums
Hash values and integrity verification status
| Type | Actual | Match |
|---|---|---|
| MD5 | 6f6326c0…b11948cf | |
| SHA-1 | e0d0f19b…19cc5185 | |
| SHA-256 | 815ec494…bf8afbfa | |
| SHA-512 | c1dd756b…b3ef537f |
Contents
Files and directories included
. usr usr/lib usr/lib/python3 usr/lib/python3/dist-packages usr/lib/python3/dist-packages/OpenMM-8.1.2.egg-info usr/lib/python3/dist-packages/OpenMM-8.1.2.egg-info/PKG-INFO usr/lib/python3/dist-packages/OpenMM-8.1.2.egg-info/dependency_links.txt usr/lib/python3/dist-packages/OpenMM-8.1.2.egg-info/top_level.txt usr/lib/python3/dist-packages/openmm usr/lib/python3/dist-packages/openmm/__init__.py usr/lib/python3/dist-packages/openmm/_openmm.cpython-313-s390x-linux-gnu.so usr/lib/python3/dist-packages/openmm/_openmm.cpython-314-s390x-linux-gnu.so usr/lib/python3/dist-packages/openmm/amd.py usr/lib/python3/dist-packages/openmm/app usr/lib/python3/dist-packages/openmm/app/__init__.py usr/lib/python3/dist-packages/openmm/app/amberinpcrdfile.py usr/lib/python3/dist-packages/openmm/app/amberprmtopfile.py usr/lib/python3/dist-packages/openmm/app/charmmcrdfiles.py usr/lib/python3/dist-packages/openmm/app/charmmparameterset.py usr/lib/python3/dist-packages/openmm/app/charmmpsffile.py usr/lib/python3/dist-packages/openmm/app/checkpointreporter.py usr/lib/python3/dist-packages/openmm/app/data usr/lib/python3/dist-packages/openmm/app/data/DLPC.pdb usr/lib/python3/dist-packages/openmm/app/data/DLPE.pdb usr/lib/python3/dist-packages/openmm/app/data/DMPC.pdb usr/lib/python3/dist-packages/openmm/app/data/DOPC.pdb usr/lib/python3/dist-packages/openmm/app/data/DPPC.pdb usr/lib/python3/dist-packages/openmm/app/data/POPC.pdb usr/lib/python3/dist-packages/openmm/app/data/POPE.pdb usr/lib/python3/dist-packages/openmm/app/data/absinth.xml usr/lib/python3/dist-packages/openmm/app/data/amber03.xml usr/lib/python3/dist-packages/openmm/app/data/amber03_obc.xml usr/lib/python3/dist-packages/openmm/app/data/amber10.xml usr/lib/python3/dist-packages/openmm/app/data/amber10_obc.xml usr/lib/python3/dist-packages/openmm/app/data/amber14 usr/lib/python3/dist-packages/openmm/app/data/amber14/DNA.OL15.xml usr/lib/python3/dist-packages/openmm/app/data/amber14/DNA.bsc1.xml usr/lib/python3/dist-packages/openmm/app/data/amber14/GLYCAM_06j-1.xml usr/lib/python3/dist-packages/openmm/app/data/amber14/RNA.OL3.xml usr/lib/python3/dist-packages/openmm/app/data/amber14/lipid17.xml usr/lib/python3/dist-packages/openmm/app/data/amber14/opc.xml usr/lib/python3/dist-packages/openmm/app/data/amber14/opc3.xml usr/lib/python3/dist-packages/openmm/app/data/amber14/protein.ff14SB.xml usr/lib/python3/dist-packages/openmm/app/data/amber14/protein.ff15ipq.xml usr/lib/python3/dist-packages/openmm/app/data/amber14/spce.xml usr/lib/python3/dist-packages/openmm/app/data/amber14/tip3p.xml usr/lib/python3/dist-packages/openmm/app/data/amber14/tip3pfb.xml usr/lib/python3/dist-packages/openmm/app/data/amber14/tip4pew.xml usr/lib/python3/dist-packages/openmm/app/data/amber14/tip4pfb.xml usr/lib/python3/dist-packages/openmm/app/data/amber14-all.xml usr/lib/python3/dist-packages/openmm/app/data/amber96.xml usr/lib/python3/dist-packages/openmm/app/data/amber96_obc.xml usr/lib/python3/dist-packages/openmm/app/data/amber99Test.xml usr/lib/python3/dist-packages/openmm/app/data/amber99_obc.xml usr/lib/python3/dist-packages/openmm/app/data/amber99sb.xml usr/lib/python3/dist-packages/openmm/app/data/amber99sbildn.xml usr/lib/python3/dist-packages/openmm/app/data/amber99sbnmr.xml usr/lib/python3/dist-packages/openmm/app/data/amberfb15.xml usr/lib/python3/dist-packages/openmm/app/data/amoeba2009.xml usr/lib/python3/dist-packages/openmm/app/data/amoeba2009_gk.xml usr/lib/python3/dist-packages/openmm/app/data/amoeba2013.xml usr/lib/python3/dist-packages/openmm/app/data/amoeba2013_gk.xml usr/lib/python3/dist-packages/openmm/app/data/amoeba2018.xml usr/lib/python3/dist-packages/openmm/app/data/amoeba2018_gk.xml usr/lib/python3/dist-packages/openmm/app/data/charmm36 usr/lib/python3/dist-packages/openmm/app/data/charmm36/spce.xml usr/lib/python3/dist-packages/openmm/app/data/charmm36/tip3p-pme-b.xml usr/lib/python3/dist-packages/openmm/app/data/charmm36/tip3p-pme-f.xml usr/lib/python3/dist-packages/openmm/app/data/charmm36/tip4p2005.xml usr/lib/python3/dist-packages/openmm/app/data/charmm36/tip4pew.xml usr/lib/python3/dist-packages/openmm/app/data/charmm36/tip5p.xml usr/lib/python3/dist-packages/openmm/app/data/charmm36/tip5pew.xml usr/lib/python3/dist-packages/openmm/app/data/charmm36/water.xml usr/lib/python3/dist-packages/openmm/app/data/charmm36.xml usr/lib/python3/dist-packages/openmm/app/data/charmm_polar_2013.xml usr/lib/python3/dist-packages/openmm/app/data/charmm_polar_2019.xml usr/lib/python3/dist-packages/openmm/app/data/glycam-hydrogens.xml usr/lib/python3/dist-packages/openmm/app/data/hydrogens.xml usr/lib/python3/dist-packages/openmm/app/data/iamoeba.xml usr/lib/python3/dist-packages/openmm/app/data/implicit usr/lib/python3/dist-packages/openmm/app/data/implicit/gbn.xml usr/lib/python3/dist-packages/openmm/app/data/implicit/gbn2.xml usr/lib/python3/dist-packages/openmm/app/data/implicit/hct.xml usr/lib/python3/dist-packages/openmm/app/data/implicit/obc1.xml usr/lib/python3/dist-packages/openmm/app/data/implicit/obc2.xml usr/lib/python3/dist-packages/openmm/app/data/opc.xml usr/lib/python3/dist-packages/openmm/app/data/opc3.xml usr/lib/python3/dist-packages/openmm/app/data/pdbNames.xml usr/lib/python3/dist-packages/openmm/app/data/residues.xml usr/lib/python3/dist-packages/openmm/app/data/spce.pdb usr/lib/python3/dist-packages/openmm/app/data/spce.xml usr/lib/python3/dist-packages/openmm/app/data/swm4ndp.pdb usr/lib/python3/dist-packages/openmm/app/data/swm4ndp.xml usr/lib/python3/dist-packages/openmm/app/data/test.pdb usr/lib/python3/dist-packages/openmm/app/data/tip3p.pdb usr/lib/python3/dist-packages/openmm/app/data/tip3p.xml usr/lib/python3/dist-packages/openmm/app/data/tip3pfb.xml usr/lib/python3/dist-packages/openmm/app/data/tip4pew.pdb usr/lib/python3/dist-packages/openmm/app/data/tip4pew.xml usr/lib/python3/dist-packages/openmm/app/data/tip4pfb.xml usr/lib/python3/dist-packages/openmm/app/data/tip5p.pdb usr/lib/python3/dist-packages/openmm/app/data/tip5p.xml usr/lib/python3/dist-packages/openmm/app/dcdfile.py usr/lib/python3/dist-packages/openmm/app/dcdreporter.py usr/lib/python3/dist-packages/openmm/app/desmonddmsfile.py usr/lib/python3/dist-packages/openmm/app/element.py usr/lib/python3/dist-packages/openmm/app/forcefield.py usr/lib/python3/dist-packages/openmm/app/gromacsgrofile.py usr/lib/python3/dist-packages/openmm/app/gromacstopfile.py usr/lib/python3/dist-packages/openmm/app/internal usr/lib/python3/dist-packages/openmm/app/internal/__init__.py usr/lib/python3/dist-packages/openmm/app/internal/amber_file_parser.py usr/lib/python3/dist-packages/openmm/app/internal/argtracker.py usr/lib/python3/dist-packages/openmm/app/internal/charmm usr/lib/python3/dist-packages/openmm/app/internal/charmm/__init__.py usr/lib/python3/dist-packages/openmm/app/internal/charmm/_charmmfile.py usr/lib/python3/dist-packages/openmm/app/internal/charmm/exceptions.py usr/lib/python3/dist-packages/openmm/app/internal/charmm/topologyobjects.py usr/lib/python3/dist-packages/openmm/app/internal/compiled.cpython-313-s390x-linux-gnu.so usr/lib/python3/dist-packages/openmm/app/internal/compiled.cpython-314-s390x-linux-gnu.so usr/lib/python3/dist-packages/openmm/app/internal/customgbforces.py usr/lib/python3/dist-packages/openmm/app/internal/pdbstructure.py usr/lib/python3/dist-packages/openmm/app/internal/pdbx usr/lib/python3/dist-packages/openmm/app/internal/pdbx/__init__.py usr/lib/python3/dist-packages/openmm/app/internal/pdbx/reader usr/lib/python3/dist-packages/openmm/app/internal/pdbx/reader/PdbxContainers.py usr/lib/python3/dist-packages/openmm/app/internal/pdbx/reader/PdbxParser.py usr/lib/python3/dist-packages/openmm/app/internal/pdbx/reader/PdbxReadWriteTests.py usr/lib/python3/dist-packages/openmm/app/internal/pdbx/reader/PdbxReader.py usr/lib/python3/dist-packages/openmm/app/internal/pdbx/reader/PdbxReaderTests.py usr/lib/python3/dist-packages/openmm/app/internal/pdbx/reader/__init__.py usr/lib/python3/dist-packages/openmm/app/internal/pdbx/writer usr/lib/python3/dist-packages/openmm/app/internal/pdbx/writer/PdbxWriter.py usr/lib/python3/dist-packages/openmm/app/internal/pdbx/writer/PdbxWriterTests.py usr/lib/python3/dist-packages/openmm/app/internal/pdbx/writer/__init__.py usr/lib/python3/dist-packages/openmm/app/internal/singleton.py usr/lib/python3/dist-packages/openmm/app/internal/unitcell.py usr/lib/python3/dist-packages/openmm/app/internal/xtc_utils.cpython-313-s390x-linux-gnu.so usr/lib/python3/dist-packages/openmm/app/internal/xtc_utils.cpython-314-s390x-linux-gnu.so usr/lib/python3/dist-packages/openmm/app/metadynamics.py usr/lib/python3/dist-packages/openmm/app/modeller.py usr/lib/python3/dist-packages/openmm/app/pdbfile.py usr/lib/python3/dist-packages/openmm/app/pdbreporter.py usr/lib/python3/dist-packages/openmm/app/pdbxfile.py usr/lib/python3/dist-packages/openmm/app/simulatedtempering.py usr/lib/python3/dist-packages/openmm/app/simulation.py usr/lib/python3/dist-packages/openmm/app/statedatareporter.py usr/lib/python3/dist-packages/openmm/app/topology.py usr/lib/python3/dist-packages/openmm/app/xtcfile.py usr/lib/python3/dist-packages/openmm/app/xtcreporter.py usr/lib/python3/dist-packages/openmm/mtsintegrator.py usr/lib/python3/dist-packages/openmm/openmm.py usr/lib/python3/dist-packages/openmm/testInstallation.py usr/lib/python3/dist-packages/openmm/unit usr/lib/python3/dist-packages/openmm/unit/__init__.py usr/lib/python3/dist-packages/openmm/unit/basedimension.py usr/lib/python3/dist-packages/openmm/unit/baseunit.py usr/lib/python3/dist-packages/openmm/unit/constants.py usr/lib/python3/dist-packages/openmm/unit/doctests.py usr/lib/python3/dist-packages/openmm/unit/mymatrix.py usr/lib/python3/dist-packages/openmm/unit/prefix.py usr/lib/python3/dist-packages/openmm/unit/quantity.py usr/lib/python3/dist-packages/openmm/unit/standard_dimensions.py usr/lib/python3/dist-packages/openmm/unit/unit.py usr/lib/python3/dist-packages/openmm/unit/unit_definitions.py usr/lib/python3/dist-packages/openmm/unit/unit_math.py usr/lib/python3/dist-packages/openmm/unit/unit_operators.py usr/lib/python3/dist-packages/openmm/vec3.py usr/lib/python3/dist-packages/openmm/version.py usr/lib/python3/dist-packages/simtk usr/lib/python3/dist-packages/simtk/__init__.py usr/lib/python3/dist-packages/simtk/openmm usr/lib/python3/dist-packages/simtk/openmm/__init__.py usr/lib/python3/dist-packages/simtk/openmm/app usr/lib/python3/dist-packages/simtk/openmm/app/__init__.py usr/lib/python3/dist-packages/simtk/unit usr/lib/python3/dist-packages/simtk/unit/__init__.py usr/lib/python3/dist-packages/systems usr/lib/python3/dist-packages/systems/18protein.parm7 usr/lib/python3/dist-packages/systems/18protein.rst7 usr/lib/python3/dist-packages/systems/1T2Y.pdb usr/lib/python3/dist-packages/systems/1ppt.gro usr/lib/python3/dist-packages/systems/1ppt.top usr/lib/python3/dist-packages/systems/2ci2.pdb.gro usr/lib/python3/dist-packages/systems/2ci2.pdb.top usr/lib/python3/dist-packages/systems/4TVP-dmj_wat-ion.psf usr/lib/python3/dist-packages/systems/5dhfr_cube.pdb usr/lib/python3/dist-packages/systems/5dhfr_cube.psf usr/lib/python3/dist-packages/systems/DNA_mbondi3.inpcrd usr/lib/python3/dist-packages/systems/DNA_mbondi3.prmtop usr/lib/python3/dist-packages/systems/Mg_water.inpcrd usr/lib/python3/dist-packages/systems/Mg_water.prmtop usr/lib/python3/dist-packages/systems/MoS2.pdb usr/lib/python3/dist-packages/systems/MoS2.prm usr/lib/python3/dist-packages/systems/MoS2.psf usr/lib/python3/dist-packages/systems/T4-lysozyme-L99A-p-xylene-implicit.pdb usr/lib/python3/dist-packages/systems/aidilnaaaaa.gro usr/lib/python3/dist-packages/systems/aidilnaaaaa.top usr/lib/python3/dist-packages/systems/ala-ala-ala-implicit-forces usr/lib/python3/dist-packages/systems/ala-ala-ala-implicit-forces/GBn2_NoCutoff.xml usr/lib/python3/dist-packages/systems/ala-ala-ala-implicit-forces/GBn_NoCutoff_Salt.xml usr/lib/python3/dist-packages/systems/ala-ala-ala-implicit-forces/HCT_NoCutoff.xml usr/lib/python3/dist-packages/systems/ala-ala-ala-implicit-forces/OBC1_NonPeriodic.xml usr/lib/python3/dist-packages/systems/ala-ala-ala-implicit-forces/OBC2_NonPeriodic_Salt.xml usr/lib/python3/dist-packages/systems/ala3_solv.crd usr/lib/python3/dist-packages/systems/ala3_solv.parm7 usr/lib/python3/dist-packages/systems/ala3_solv.psf usr/lib/python3/dist-packages/systems/ala3_solv_drude.crd usr/lib/python3/dist-packages/systems/ala3_solv_drude.psf usr/lib/python3/dist-packages/systems/ala_ala_ala.crd usr/lib/python3/dist-packages/systems/ala_ala_ala.pdb usr/lib/python3/dist-packages/systems/ala_ala_ala.psf usr/lib/python3/dist-packages/systems/ala_ala_ala.vpsf usr/lib/python3/dist-packages/systems/ala_ala_ala.xpsf usr/lib/python3/dist-packages/systems/ala_ala_ala_drude.pdb usr/lib/python3/dist-packages/systems/alanine-dipeptide-amoeba-forces.xml usr/lib/python3/dist-packages/systems/alanine-dipeptide-explicit-amber99SBILDN-tip3p.dms usr/lib/python3/dist-packages/systems/alanine-dipeptide-explicit.inpcrd usr/lib/python3/dist-packages/systems/alanine-dipeptide-explicit.pdb usr/lib/python3/dist-packages/systems/alanine-dipeptide-explicit.prmtop usr/lib/python3/dist-packages/systems/alanine-dipeptide-implicit-forces usr/lib/python3/dist-packages/systems/alanine-dipeptide-implicit-forces/GBn2_NoCutoff.xml usr/lib/python3/dist-packages/systems/alanine-dipeptide-implicit-forces/GBn_NoCutoff_Salt.xml usr/lib/python3/dist-packages/systems/alanine-dipeptide-implicit-forces/HCT_NoCutoff.xml usr/lib/python3/dist-packages/systems/alanine-dipeptide-implicit-forces/OBC1_NonPeriodic.xml usr/lib/python3/dist-packages/systems/alanine-dipeptide-implicit-forces/OBC2_NonPeriodic_Salt.xml usr/lib/python3/dist-packages/systems/alanine-dipeptide-implicit.inpcrd usr/lib/python3/dist-packages/systems/alanine-dipeptide-implicit.pdb usr/lib/python3/dist-packages/systems/alanine-dipeptide-implicit.prmtop usr/lib/python3/dist-packages/systems/altlocs.pdb usr/lib/python3/dist-packages/systems/altlocs2.pdb usr/lib/python3/dist-packages/systems/amber.ncrst usr/lib/python3/dist-packages/systems/amoeba-ion-in-water.pdb usr/lib/python3/dist-packages/systems/bcd-nabumetone_lig.dms usr/lib/python3/dist-packages/systems/bcd-nabumetone_rcpt.dms usr/lib/python3/dist-packages/systems/bnz.gro usr/lib/python3/dist-packages/systems/bnz.top usr/lib/python3/dist-packages/systems/bpti.pdb usr/lib/python3/dist-packages/systems/charmm-solvated usr/lib/python3/dist-packages/systems/charmm-solvated/envi.str usr/lib/python3/dist-packages/systems/charmm-solvated/isa_wat.3_kcl.m14.psf usr/lib/python3/dist-packages/systems/charmm-solvated/m14.prm usr/lib/python3/dist-packages/systems/charmm-solvated/m14.rtf usr/lib/python3/dist-packages/systems/charmm22.par usr/lib/python3/dist-packages/systems/charmm22.rtf usr/lib/python3/dist-packages/systems/chl1.crd usr/lib/python3/dist-packages/systems/chl1.psf usr/lib/python3/dist-packages/systems/chlb_cgenff.crd usr/lib/python3/dist-packages/systems/chlb_cgenff.psf usr/lib/python3/dist-packages/systems/crds_box.rst7 usr/lib/python3/dist-packages/systems/crds_vels.rst7 usr/lib/python3/dist-packages/systems/crds_vels_box.rst7 usr/lib/python3/dist-packages/systems/crdsonly.rst7 usr/lib/python3/dist-packages/systems/cyt-gua-cyt.crd usr/lib/python3/dist-packages/systems/cyt-gua-cyt.psf usr/lib/python3/dist-packages/systems/explicit.top usr/lib/python3/dist-packages/systems/ff14ipq.parm7 usr/lib/python3/dist-packages/systems/ff14ipq.rst7 usr/lib/python3/dist-packages/systems/ff_with_includes.xml usr/lib/python3/dist-packages/systems/formaldehyde.pdb usr/lib/python3/dist-packages/systems/gaffwat.parm7 usr/lib/python3/dist-packages/systems/glycopeptide.pdb usr/lib/python3/dist-packages/systems/gpcr.cif usr/lib/python3/dist-packages/systems/implicit.top usr/lib/python3/dist-packages/systems/improper.psf usr/lib/python3/dist-packages/systems/impropers_ordering_tetrapeptide.pdb usr/lib/python3/dist-packages/systems/insertions.pdbx usr/lib/python3/dist-packages/systems/ionic.gro usr/lib/python3/dist-packages/systems/ionic.top usr/lib/python3/dist-packages/systems/ions.pdb usr/lib/python3/dist-packages/systems/ions.psf usr/lib/python3/dist-packages/systems/lysozyme-implicit-forces.xml usr/lib/python3/dist-packages/systems/lysozyme-implicit.pdb usr/lib/python3/dist-packages/systems/methanol-box.pdb usr/lib/python3/dist-packages/systems/methanol_ions.pdb usr/lib/python3/dist-packages/systems/methanol_ions.psf usr/lib/python3/dist-packages/systems/multichain.pdbx usr/lib/python3/dist-packages/systems/nacl-water.pdb usr/lib/python3/dist-packages/systems/nucleic.pdb usr/lib/python3/dist-packages/systems/opc3box.pdb usr/lib/python3/dist-packages/systems/opcbox.pdb usr/lib/python3/dist-packages/systems/par_all22_prot.inp usr/lib/python3/dist-packages/systems/par_all22_prot_with_mass.inp usr/lib/python3/dist-packages/systems/par_all36_cgenff.prm usr/lib/python3/dist-packages/systems/par_all36_lipid.prm usr/lib/python3/dist-packages/systems/par_all36_prot.prm usr/lib/python3/dist-packages/systems/peptide_with_tip4p.inpcrd usr/lib/python3/dist-packages/systems/peptide_with_tip4p.prmtop usr/lib/python3/dist-packages/systems/test_amber_ff.xml usr/lib/python3/dist-packages/systems/tip4pew.top usr/lib/python3/dist-packages/systems/tip5p.pdb usr/lib/python3/dist-packages/systems/top_all36_cgenff.rtf usr/lib/python3/dist-packages/systems/toppar_all36_lipid_cholesterol.str usr/lib/python3/dist-packages/systems/toppar_drude_master_protein_2013e.str usr/lib/python3/dist-packages/systems/toppar_drude_nucleic_acid_2017b.str usr/lib/python3/dist-packages/systems/toppar_water_ions.str usr/lib/python3/dist-packages/systems/triclinic.gro usr/lib/python3/dist-packages/systems/triclinic.pdb usr/lib/python3/dist-packages/systems/triclinic.pdbx usr/lib/python3/dist-packages/systems/tz2.truncoct.parm7 usr/lib/python3/dist-packages/systems/tz2.truncoct.rst7 usr/lib/python3/dist-packages/systems/water-box-216.prmtop usr/lib/python3/dist-packages/systems/water_methanol.prm usr/lib/python3/dist-packages/systems/water_methanol.psf usr/share usr/share/doc usr/share/doc/python3-openmm usr/share/doc/python3-openmm/changelog.Debian.gz usr/share/doc/python3-openmm/changelog.Debian.s390x.gz usr/share/doc/python3-openmm/copyright