> In other words, in a number of tools the force field is hardcoded which seems
> unnecessary. Would this be worthwhile to fix?
Often, the tools directory has been thought of more as a set of examples - not
so much as independent codes for people to use. (Many of these have "ops" from
babel)
C
Hi, I made the following observation in the tools directory:
% grep FindForceField *cpp
obconformer.cpp: OBForceField *pFF =
OBForceField::FindForceField("MMFF94");
obdistgen.cpp: OBForceField* pFF = OBForceField::FindForceField("mmff94");
obenergy.cpp: OBForceField* pFF = OBForceField::Find
