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Changes for version 0.047 - 2017-12-28

  • added mol_disulfide_bonds($mol,$fudge) to HackaMol.pm
  • added read_pdbfile_mol to HackaMol.pm for reading pdb header and model ids
  • added attr 'info' to HM::Role::AtomGroupRole
  • added attr 'model_ids' to HM::Molecule
  • pdb models are again ignored if the number of atoms changes
  • readline_func hook added to main HackaMol class to allow modified parse of PDBs

Modules

HackaMol: Object-Oriented Library for Molecular Hacking
Angle class for HackaMol
HackaMol Atom Class
HackaMol AtomGroup class
HackaMol Bond class
Dihedral Angle class for HackaMol
Molecule class for HackaMol
package for period table data... needs to change
Role for a group of atoms
Array traits for containers of HackaMol Bonds, Angles, Dihedrals.
Role for using LWP::Simple to fetch files from www
Read files with molecular information
Role providing Natural extension reference frame implementation for molecular building
provides name attribute
PdbRole of lazy attributes for HackaMol atoms
Provides the core of HackaMol Atom and Molecule classes.
simple role that provides attributes needed for setting up quantum chemistry calculations
provides attributes needed for quantum chemistry calculations
Read files with molecular information
Read files with molecular information
Read files with molecular information
Read files with molecular information
Read files with molecular information
Atom selections in molecules