Another follow up question to this. I decided to use the measure distance
python script on the pymol wiki to do this, and I was able to do it
successfully with a range of residues, but my question is about the output txt
file. When I run the script I get the correct distances (all 3 of them)
Hej Suzanne,
you will need to append the other two distances to the script to get them
printed.
Following your example that would be something like:
# calculate the distance and store it in dst
dst1=cmd.distance('tmp','B///297/cb','A///17-19/cb')
One more addition to the reply:
I failed to notice that you are trying to input a range of residues '17-19'
Make sure to input single atom selections to get correct distances and not
an average:
A straightforward way to get that name is to click on the atom while in the
'editing mode' of pymol:
Ah I see--I will try and let you know how it works. Thanks again!
From: Andreas Warnecke [4ndreas.warne...@gmail.com]
Sent: Tuesday, June 17, 2014 2:18 PM
To: Lapolla, Suzanne M (HSC)
Cc: Robert Campbell; pymol-users@lists.sourceforge.net
Subject: Re: [PyMOL]
Hi Suzanne - The reason you have been getting only one distance in your output
file is that your script is opening the file in “write” mode:
f=open('distnew.txt','w')
This will overwrite the contents of distnew.txt each time the script is run.
If you want to keep all the distances without
Thanks for your input Jared. I have not had a chance yet to try ANdrea's
suggestions but will and will also try yours, and see what works best for me
and get back to you and the forum--which has been so helpful!
From: Sampson, Jared [jared.samp...@nyumc.org]
