On 17 December 2011 04:46, Geoff Hutchison ge...@geoffhutchison.net wrote:
The weird thing is that IdentifyResidue can identify the first serine
without any problems; it just doesn't identify the second one. Also,
it will identify them both correctly if the --gen3d is omitted (or
more
The weird thing is that IdentifyResidue can identify the first serine
without any problems; it just doesn't identify the second one. Also,
it will identify them both correctly if the --gen3d is omitted (or
more precisely, if the call to Builder.Build is omitted).
This bug report exposed two
I've done a lot of debugging in chains.cpp, but don't have time for a few days.
It's sorta like a specialized SMILES/SMARTS parser.
result = DetermineHetAtoms(mol) result;
result = DetermineConnectedChains(mol)result;
result = DeterminePeptideBackbone(mol)result;
