Hello,
I want to align some molecules and try to give, with obrotate, the
same value to some torsion before alignment.
But
obrotate pattern file.sdf 1 2 3 4 90
is working only on ~the half of matching molecules, while
obgrep -c pattern file.sdf
is retrieving correctly all the wanted molecules.
Any idea why?
Does anybody have any other suggestion for superimposing molecules
sharing a common scaffold?
Regards,
Pascal
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