[Chimera-users] Reading of charges from PRMTOP file and labeling atoms with charge value ?
marek.maly at ujep.cz
Tue Jun 1 03:01:03 PDT 2010
when using PRMROP/INPCRD(RST,MDCRD) files to load molecule - is Chimera
able to read CHARGE information
from the PRMTOP file ? If Chimera is able to do it, how is then possible
to label atoms with it's charges ?
It seems to me that the recommended commands sequence
labelopt info charge
works only after "Add Charge" procedure which is trying to calculate
charges according the residuies in loaded
molecule but I do hope that that there is also way how to simply visualize
charge values which are already present
in the PRMTOP file.
Thanks a lot in advance for your comments !
Tato zpráva byla vytvořena převratným poštovním klientem Opery:
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