Thank you for reading this email.I have a question to confirm:
I want to get the 3D coordinates of the molecules,after operations just like
your example:
obabelligand.babel.smi-Oligand.babel.sdf--gen3d--conformer--nconf20--weighted
Can we think of this conformation as the most stable conforma
Hi,
we are using Open Babel 2.4.1 and we have found a very strange
behaviour when converting pdbqt format; for instance:
a) babel 3CQA.pdbqt 3CQA_2.pdbqt
(file is pasted below)
it makes unnecessary modifications to several parts of the file
or
b) babel *.pdbqt -opdbqt te