| commit | c35e87d620cd22164a6f0cd0e540e15d4e82eb16 | |
| author | Vedran Miletić <vedran@miletic.net> | |
| Fri, 16 Sep 2016 13:19:39 +0000 (16 15:19 +0200) | ||
| committer | Vedran Miletić <vedran@miletic.net> | |
| Thu, 8 Dec 2016 13:42:58 +0000 (8 14:42 +0100) | ||
| tree | d4aa0720161c9518e9b1b2b8d7e3f9479819ae54 | treesnapshot (tar.gz zip) |
| parent | 9e6144061f4f540dd04a0baa53ce35c99a7eb82d | commitdiff |
Make editconf B-factor attachment more useful in practice
B-factor values will be added to residues unless an index is larger
than the number of residues or an option is specified. Protein residue
indices can start from any number and, in case they start from a large
number, there is no way to add B-factor values to residues.
This patch changes it to add B-factor values to residues unless the
number of B-factor values is larger than the number of residues.
Change-Id: Ifa67d6d6b5dc0f31e5b0d270ce255aece5ac7247
B-factor values will be added to residues unless an index is larger
than the number of residues or an option is specified. Protein residue
indices can start from any number and, in case they start from a large
number, there is no way to add B-factor values to residues.
This patch changes it to add B-factor values to residues unless the
number of B-factor values is larger than the number of residues.
Change-Id: Ifa67d6d6b5dc0f31e5b0d270ce255aece5ac7247
| src/gromacs/gmxana/gmx_editconf.c | diffblobblamehistory |