Hi,
I'm trying to find the RMSD values for batch purposes. The command which I
found works for the Pymol-command line.
I was hoping if I could get an idea about using the python script
fitting.py in my shell script without triggering the Pymol GUI.
Thanks in advance.
run fitting.py,main
Do I need to import Pymol module in the shell script to use the pymol
scripts like you did in python?
Am I missing something?
Thanks
--
Gazal
On Fri, Jul 10, 2015 at 11:36 PM, David Hall wrote:
> http://www.pymolwiki.org/index.php/Command_Line_Options
>
>
blem.. Any suggestions to beat that?
Many thanks.
--
Gazal
On Sat, Jul 11, 2015 at 10:17 PM, David Hall wrote:
> I assume you are referring to
> http://pldserver1.biochem.queensu.ca/~rlc/work/pymol/fitting.py
>
> That is a script that creates a function. To turn it into a program, you
>
os.path.basename(two)
# To get filename without extension: one.split(".",1)[0]
cmd.load(one, name1)
cmd.load(two, name2)
rms = cmd.align(name1, name2)
print(rms)
cmd.quit()
On Tue, Jul 14, 2015 at 2:02 AM, Gazal wrote:
> Thanks, I tried using python like you suggested but receive
