Strangely the FC fails to convert the distance restraint HB3's of some residues
but not others.
Chris and I tried to add settings:
'2kac': {
'authors': ['Jurgen Doreleijers'],
'comment': """
First tries.
""",
'linkResonances': {
'keywds': {
'namingSystemName': "DIANA",
# 'useIupacMatching': 2,
},
},
},
but they are not applied although debug's showed they are taken in.
The log from Chris is on grunt at:
$dir_link/2kac/linkNmrStarData.log
I've done this on my own machine.
Perhaps the settings aren't taken because there's a 100% match with pdb_remed
which gets applied.
Selecting naming system PDB_REMED.
Molecule set to type protein from sequence file information.
Created molecule Protein_L (molType protein, 64 chemComps)
Created chain 'A', start seqCode 1, end seqCode 64, molecule 'Protein_L'...
##############################################
# FormatConverter: executing readCoordinates #
##############################################
Selecting naming system PDB_REMED.
Auto selecting naming system for coordinates...
Selected naming system PDB_REMED has 100% match with atom names.
Mapping coordinate atoms...
I don't get it. Could you take a look please?
Original issue reported on code.google.com by jurge...@gmail.com on 10 Nov 2009 at 12:03
Original issue reported on code.google.com by
jurge...@gmail.com
on 10 Nov 2009 at 12:03