HackaMol::Roles::ReadZmatRole - Read files with molecular information
version 0.038
my @atoms = HackaMol->new ->read_zmat_atoms("some.zmat");
The HackaMol::Roles::ReadZmatRole provides read_zmat_atoms for the flexible reading of Z-matrix files. It supports inline cartesian coordinates and variables as in the following example:
N 0 -12.781 3.620 15.274
C 0 -11.976 4.652 15.944
C 0 -12.722 6.019 15.985
O 0 -13.133 6.378 14.897
C 2 CBCA 3 CBCAC 4 CBCACO
C 5 CBCA 2 CBCAC 3 CG1CBCAC
C 5 CBCA 2 CBCAC 3 CG2CBCAC
CBCA = 1.54
CBCAC = 113.4
CBCACO = 71.85
CG1CBCAC = 54.
CG2CBCAC = 180.
One argument: the filename Returns a list of HackaMol::Atom objects.
HackaMol
HackaMol::Atom
HackaMol::Roles::MolReadRole
Protein Data Bank
HackaMol::Roles::NERFRole
Demian Riccardi <demianriccardi@gmail.com>
This software is copyright (c) 2015 by Demian Riccardi.
This is free software; you can redistribute it and/or modify it under the same terms as the Perl 5 programming language system itself.
To install HackaMol, copy and paste the appropriate command in to your terminal.
cpanm
cpanm HackaMol
CPAN shell
perl -MCPAN -e shell install HackaMol
For more information on module installation, please visit the detailed CPAN module installation guide.