Hello folks:
I have loaded a series of small molecules and have loaded maps of quantum
properties from another source.
I want to align the molecules to a "base" scaffold, which I can do. What I am
having difficulty with is the subsequent
Rotation/translation of the map object for given molecule. The matrix_copy
approach does not appear to have any effect,
although it does not generate an error.
Someone must have come across this problem. I have seen requests similar to
mine as far back as 2004, but no resolution that I can find.
Of course, any help would be greatly appreciated
Connor F. McGrath, Ph.D.
Manager, Computational Drug Development Group
Frederick National Laboratory for Cancer Research
CDDG, DTP, DCTD (Leidos Biomedical contract)
mcgrathcon...@mail.nih.gov
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