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HackaMol-0.00_07
River stage one • 3 direct dependents • 3 total dependents

Changes for version 0.00_07 - 2013-11-19

  • Reduced size of test directory
  • Improved reading of PDBs with multiple (sometimes erroneous) models

Changes for version 0.00_06 - 2013-11-18

  • Added find_disulfides to HackaMol.pm
  • Added read_file_mol to HackaMol.pm
  • Added read_file_append_mol to HackaMol.pm
  • Adjusted reading and writing of PDB files

Changes for version 0.00_05 - 2013-10-02

  • Adjusted builders in HackaMol.pm added pdb_print for groups

Changes for version 0.00_04 - 2013-09-20

  • Fixing one test that needs recent MVR to work

Changes for version 0.00_03 - 2013-09-19

  • Fixing POD and tests further

Changes for version 0.00_02 - 2013-09-19

  • Fixing POD and tests based on how things look and cpantesters

Changes for version 0.00_01 - 2013-09-18

  • First Devel release

Modules

HackaMol
HackaMol: Object-Oriented Library for Molecular Hacking
HackaMol::Angle
Angle class for HackaMol
HackaMol::Atom
HackaMol Atom Class
HackaMol::AtomGroup
HackaMol AtomGroup class
HackaMol::AtomGroupRole
Role for a group of atoms
HackaMol::Bond
HackaMol Bond class
HackaMol::BondsAnglesDihedralsRole
Array traits for containers of HackaMol Bonds, Angles, Dihedrals.
HackaMol::Dihedral
Dihedral Angle class for HackaMol
HackaMol::MolReadRole
Read XYZ and PDB files
HackaMol::Molecule
Molecule class for HackaMol
HackaMol::NameRole
provides name attribute
HackaMol::PdbRole
PdbRole of lazy attributes for HackaMol atoms
HackaMol::PeriodicTable
HackaMol::PhysVecMVRRole
Provides the core of HackaMol Atom and Molecule classes.
HackaMol::QmAtomRole
simple role that provides attributes needed for setting up quantum chemistry calculations
HackaMol::QmMolRole
provides attributes needed for quantum chemistry calculations
References
some useful references

Examples

Other files