python3-moltemplate (2.22.5-1)

Details

Core information at a glance

Distribution
debian
Origin
debian-forky
Repository
https://deb.debian.org/debian
Codename
forky
Component
main
Source
moltemplate
Architecture
s390x
Section
science
Priority
optional
Maintainer
Drew Parsons <[email protected]>

Size & integrity

Byte sizes and integrity verification

Installed size
9.1 kB
Size expected
583.4 kB
Size actual
583.4 kB
Size match

Dependencies

Required package dependencies

  • python3-numpy
  • python3:any

Suggested packages

Recommended additional packages

  • moltemplate-doc

Description

text-based molecule builder for LAMMPS

Tags

Package classification tags

None

Checksums

Hash values and integrity verification status

TypeActualMatch
MD52af6dc4d…b7a1bba7
SHA-16e82af2c…26481386
SHA-256c4cff36e…52d3917a
SHA-5127f36aa0d…ca730497

Contents

Files and directories included

.
usr
usr/bin
usr/bin/bonds_by_type.py
usr/bin/charge_by_bond.py
usr/bin/cleanup_moltemplate.sh
usr/bin/dump2data.py
usr/bin/emoltemplate.sh
usr/bin/ettree.py
usr/bin/extract_espresso_atom_types.py
usr/bin/extract_lammps_data.py
usr/bin/genpoly_lt.py
usr/bin/genpoly_modify_lt.py
usr/bin/interpolate_curve.py
usr/bin/ltemplify.py
usr/bin/lttree.py
usr/bin/lttree_check.py
usr/bin/lttree_postprocess.py
usr/bin/mol22lt.py
usr/bin/molc.sh
usr/bin/moltemplate.sh
usr/bin/nbody_by_type.py
usr/bin/nbody_fix_ttree_assignments.py
usr/bin/nbody_reorder_atoms.py
usr/bin/pdb2crds.awk
usr/bin/pdbsort.py
usr/bin/postprocess_coeffs.py
usr/bin/postprocess_input_script.py
usr/bin/raw2data.py
usr/bin/recenter_coords.py
usr/bin/remove_duplicate_atoms.py
usr/bin/remove_duplicates_nbody.py
usr/bin/renumber_DATA_first_column.py
usr/bin/ttree.py
usr/bin/ttree_render.py
usr/lib
usr/lib/python3
usr/lib/python3/dist-packages
usr/lib/python3/dist-packages/moltemplate
usr/lib/python3/dist-packages/moltemplate/__init__.py
usr/lib/python3/dist-packages/moltemplate/amber2lt.py
usr/lib/python3/dist-packages/moltemplate/bonds_by_type.py
usr/lib/python3/dist-packages/moltemplate/charge_by_bond.py
usr/lib/python3/dist-packages/moltemplate/dump2data.py
usr/lib/python3/dist-packages/moltemplate/ettree.py
usr/lib/python3/dist-packages/moltemplate/ettree_styles.py
usr/lib/python3/dist-packages/moltemplate/extract_espresso_atom_types.py
usr/lib/python3/dist-packages/moltemplate/extract_lammps_data.py
usr/lib/python3/dist-packages/moltemplate/force_fields
usr/lib/python3/dist-packages/moltemplate/force_fields/compass_published.lt
usr/lib/python3/dist-packages/moltemplate/force_fields/cooke_deserno_lipid.lt
usr/lib/python3/dist-packages/moltemplate/force_fields/dreiding.lt
usr/lib/python3/dist-packages/moltemplate/force_fields/drymartini.lt
usr/lib/python3/dist-packages/moltemplate/force_fields/gaff.lt
usr/lib/python3/dist-packages/moltemplate/force_fields/gaff2.lt
usr/lib/python3/dist-packages/moltemplate/force_fields/graphene.lt
usr/lib/python3/dist-packages/moltemplate/force_fields/graphene_rectangular.lt
usr/lib/python3/dist-packages/moltemplate/force_fields/graphite.lt
usr/lib/python3/dist-packages/moltemplate/force_fields/loplsaa.lt
usr/lib/python3/dist-packages/moltemplate/force_fields/loplsaa2008.lt
usr/lib/python3/dist-packages/moltemplate/force_fields/loplsaa2024.lt
usr/lib/python3/dist-packages/moltemplate/force_fields/martini.lt
usr/lib/python3/dist-packages/moltemplate/force_fields/oplsaa.lt
usr/lib/python3/dist-packages/moltemplate/force_fields/oplsaa2008.lt
usr/lib/python3/dist-packages/moltemplate/force_fields/oplsaa2024.lt
usr/lib/python3/dist-packages/moltemplate/force_fields/sdk.lt
usr/lib/python3/dist-packages/moltemplate/force_fields/spc_oplsaa.lt
usr/lib/python3/dist-packages/moltemplate/force_fields/spc_oplsaa2008.lt
usr/lib/python3/dist-packages/moltemplate/force_fields/spc_oplsaa2024.lt
usr/lib/python3/dist-packages/moltemplate/force_fields/spce.lt
usr/lib/python3/dist-packages/moltemplate/force_fields/spce_amber.lt
usr/lib/python3/dist-packages/moltemplate/force_fields/spce_dreiding.lt
usr/lib/python3/dist-packages/moltemplate/force_fields/spce_hybrid.lt
usr/lib/python3/dist-packages/moltemplate/force_fields/spce_ice_rect16.lt
usr/lib/python3/dist-packages/moltemplate/force_fields/spce_ice_rect32.lt
usr/lib/python3/dist-packages/moltemplate/force_fields/spce_ice_rect8.lt
usr/lib/python3/dist-packages/moltemplate/force_fields/spce_more_comments.lt
usr/lib/python3/dist-packages/moltemplate/force_fields/spce_oplsaa.lt
usr/lib/python3/dist-packages/moltemplate/force_fields/spce_oplsaa2024.lt
usr/lib/python3/dist-packages/moltemplate/force_fields/tip3p_1983.lt
usr/lib/python3/dist-packages/moltemplate/force_fields/tip3p_1983_charmm.lt
usr/lib/python3/dist-packages/moltemplate/force_fields/tip3p_1983_charmm_hybrid.lt
usr/lib/python3/dist-packages/moltemplate/force_fields/tip3p_1983_hybrid.lt
usr/lib/python3/dist-packages/moltemplate/force_fields/tip3p_1983_oplsaa.lt
usr/lib/python3/dist-packages/moltemplate/force_fields/tip3p_1983_oplsaa2008.lt
usr/lib/python3/dist-packages/moltemplate/force_fields/tip3p_1983_oplsaa2024.lt
usr/lib/python3/dist-packages/moltemplate/force_fields/tip3p_2004.lt
usr/lib/python3/dist-packages/moltemplate/force_fields/tip3p_2004_hybrid.lt
usr/lib/python3/dist-packages/moltemplate/force_fields/tip3p_2004_oplsaa.lt
usr/lib/python3/dist-packages/moltemplate/force_fields/tip3p_2004_oplsaa2024.lt
usr/lib/python3/dist-packages/moltemplate/force_fields/tip5p_oplsaa.lt
usr/lib/python3/dist-packages/moltemplate/force_fields/tip5p_oplsaa2008.lt
usr/lib/python3/dist-packages/moltemplate/force_fields/tip5p_oplsaa2024.lt
usr/lib/python3/dist-packages/moltemplate/force_fields/trappe1998.lt
usr/lib/python3/dist-packages/moltemplate/force_fields/watmw.lt
usr/lib/python3/dist-packages/moltemplate/genpoly_lt.py
usr/lib/python3/dist-packages/moltemplate/genpoly_modify_lt.py
usr/lib/python3/dist-packages/moltemplate/interpolate_curve.py
usr/lib/python3/dist-packages/moltemplate/ltemplify.py
usr/lib/python3/dist-packages/moltemplate/lttree.py
usr/lib/python3/dist-packages/moltemplate/lttree_check.py
usr/lib/python3/dist-packages/moltemplate/lttree_postprocess.py
usr/lib/python3/dist-packages/moltemplate/lttree_styles.py
usr/lib/python3/dist-packages/moltemplate/mol22lt.py
usr/lib/python3/dist-packages/moltemplate/nbody_Angles.py
usr/lib/python3/dist-packages/moltemplate/nbody_Bonds.py
usr/lib/python3/dist-packages/moltemplate/nbody_Dihedrals.py
usr/lib/python3/dist-packages/moltemplate/nbody_Impropers.py
usr/lib/python3/dist-packages/moltemplate/nbody_alt_symmetry
usr/lib/python3/dist-packages/moltemplate/nbody_alt_symmetry/__init__.py
usr/lib/python3/dist-packages/moltemplate/nbody_alt_symmetry/angles_nosym.py
usr/lib/python3/dist-packages/moltemplate/nbody_alt_symmetry/bonds_nosym.py
usr/lib/python3/dist-packages/moltemplate/nbody_alt_symmetry/cenIsortJKL.py
usr/lib/python3/dist-packages/moltemplate/nbody_alt_symmetry/cenIswapJK.py
usr/lib/python3/dist-packages/moltemplate/nbody_alt_symmetry/cenJsortIKL.py
usr/lib/python3/dist-packages/moltemplate/nbody_alt_symmetry/cenJswapIL.py
usr/lib/python3/dist-packages/moltemplate/nbody_alt_symmetry/cenKswapIL.py
usr/lib/python3/dist-packages/moltemplate/nbody_alt_symmetry/dihedrals_nosym.py
usr/lib/python3/dist-packages/moltemplate/nbody_alt_symmetry/gaff_imp.py
usr/lib/python3/dist-packages/moltemplate/nbody_alt_symmetry/impropers_nosym.py
usr/lib/python3/dist-packages/moltemplate/nbody_by_type.py
usr/lib/python3/dist-packages/moltemplate/nbody_by_type_lib.py
usr/lib/python3/dist-packages/moltemplate/nbody_fix_ttree_assignments.py
usr/lib/python3/dist-packages/moltemplate/nbody_graph_search.py
usr/lib/python3/dist-packages/moltemplate/nbody_reorder_atoms.py
usr/lib/python3/dist-packages/moltemplate/ordereddict.py
usr/lib/python3/dist-packages/moltemplate/pdbsort.py
usr/lib/python3/dist-packages/moltemplate/postprocess_coeffs.py
usr/lib/python3/dist-packages/moltemplate/postprocess_input_script.py
usr/lib/python3/dist-packages/moltemplate/postprocess_transitions.py
usr/lib/python3/dist-packages/moltemplate/raw2data.py
usr/lib/python3/dist-packages/moltemplate/recenter_coords.py
usr/lib/python3/dist-packages/moltemplate/remove_duplicate_atoms.py
usr/lib/python3/dist-packages/moltemplate/remove_duplicates_nbody.py
usr/lib/python3/dist-packages/moltemplate/renumber_DATA_first_column.py
usr/lib/python3/dist-packages/moltemplate/scripts
usr/lib/python3/dist-packages/moltemplate/scripts/cleanup_moltemplate.sh
usr/lib/python3/dist-packages/moltemplate/scripts/emoltemplate.sh
usr/lib/python3/dist-packages/moltemplate/scripts/molc.sh
usr/lib/python3/dist-packages/moltemplate/scripts/moltemplate.sh
usr/lib/python3/dist-packages/moltemplate/scripts/pdb2crds.awk
usr/lib/python3/dist-packages/moltemplate/ttree.py
usr/lib/python3/dist-packages/moltemplate/ttree_lex.py
usr/lib/python3/dist-packages/moltemplate/ttree_matrix_stack.py
usr/lib/python3/dist-packages/moltemplate/ttree_render.py
usr/lib/python3/dist-packages/moltemplate-2.22.5.egg-info
usr/lib/python3/dist-packages/moltemplate-2.22.5.egg-info/PKG-INFO
usr/lib/python3/dist-packages/moltemplate-2.22.5.egg-info/dependency_links.txt
usr/lib/python3/dist-packages/moltemplate-2.22.5.egg-info/entry_points.txt
usr/lib/python3/dist-packages/moltemplate-2.22.5.egg-info/requires.txt
usr/lib/python3/dist-packages/moltemplate-2.22.5.egg-info/top_level.txt
usr/lib/python3/dist-packages/moltemplate-2.22.5.egg-info/zip-safe
usr/share
usr/share/doc
usr/share/doc/python3-moltemplate
usr/share/doc/python3-moltemplate/changelog.Debian.gz
usr/share/doc/python3-moltemplate/copyright
usr/share/lintian
usr/share/lintian/overrides
usr/share/lintian/overrides/python3-moltemplate