[Chimera-users] adding CONECT records with nogui option
shyamala at u.washington.edu
Fri Mar 13 15:08:27 PDT 2009
Hi Chimera users,
I am sure there is a simple way to do this, but I need some help.
I want to add CONECT records to a pdb file, given that the input file
contains all necessary atom coordinate information.
I need to do this within my shell script and I want to start chimera using
the nongui option.
Now, doing some google seach brought up this solution to add CONECT
records (in the command line within CHIMERA gui)
pdbrun nouser conect cat > filename.pdb
where filename.pdb is the name of the output file with CONECT records
the above mentioned command works when I pull up the file on GUI CHIMERA
My question is then how would I use such a command when I want to use it
in the nogui option. I have multiple files (>100) for which I need to
add CONECT records and I want to do it with a script.
Also, if someone could point me to a good resource for writing python
scripts that can be then passed on to chimera, I would be grateful.
Department of Microbiology
PO BOX 357242
University of Washington
Seattle, WA, 98195
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