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demianriccardi / p5-HackaMol

Object-Oriented Perl 5, Moose Library for Molecular Hacking
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Selections are needed #35

Closed demianriccardi closed 8 years ago

demianriccardi commented 8 years ago

using grep is awesome, but challenging for newbies.

charmm, pymol, and VMD selections could serve as inspirations.

$atomgroup = $mol->vmd_select("same residue as within 5 of element Zn");

that one seems annoying

however, $backbone = $mol->select_group("backbone"); doesn't seem so bad.

demianriccardi commented 8 years ago

Done! See HackaMol::Roles::SelectionRole