[phenixbb] elbow.builder to generate charges on individual atoms?

[Francis E Reyes]

Ok, this is probably an unsupported feature(TM),but is there anyway  
to  hack elbow.builder to output an electronic charge (presumably  
from the AM1 calculation) for each atom of a ligand? (by say  
substituting in for the Bfactor))

Thanks

FR

---------------------------------------------
Francis Reyes M.Sc.
215 UCB
University of Colorado at Boulder

gpg --keyserver pgp.mit.edu --recv-keys 67BA8D5D

8AE2 F2F4 90F7 9640 28BC  686F 78FD 6669 67BA 8D5D



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