[Chimera-users] Editing mol2
chiendarret at gmail.com
Mon Nov 12 11:28:51 PST 2018
What I want to do is changing atom types and bond orders in a .mol2 file,
to set that in order. So far, I did that, after workout with chimera
modifying structure, by opening the .mol2 file with Jmol, which shows both
the bond order and the atom type, and then editing manually the .mol2 file.
However, I wonder whether this is a safe procedure.
On Mon, Nov 12, 2018 at 5:37 PM Elaine Meng <meng at cgl.ucsf.edu> wrote:
> Hi Francesco,
> You can open a mol2 file and edit the structure (delete atoms, add atoms
> or functional groups, add hydrogens and charges, etc.) and then save
> another mol2 file. I”m not sure that’s what you mean, though.
> I hope this helps,
> Elaine C. Meng, Ph.D.
> UCSF Chimera(X) team
> Department of Pharmaceutical Chemistry
> University of California, San Francisco
> > On Nov 11, 2018, at 12:44 PM, Francesco Pietra <chiendarret at gmail.com>
> > Hi all:
> > Is it possible editing .mol2 files with chimera?
> > thanks
> > francesco pietrta
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