Sent: Tuesday, June 17, 2014 5:54 PM
To: Lapolla, Suzanne M (HSC)
Cc: pymol-users@lists.sourceforge.net
Subject: Re: [PyMOL] command question RE printing out distances to text file
Hi Suzanne - The reason you have been getting only one distance in your output
file is that your script is openin
close the output file.
f.close()
From: Robert Campbell
[robert.campb...@queensu.ca<mailto:robert.campb...@queensu.ca>]
Sent: Monday, June 09, 2014 10:04 AM
To: pymol-users@lists.sourceforge.net<mailto:pymol-users@lists.sourceforge.net>
Subject
import cmd
# open dist.txt for writing
f=open('distnew.txt','w')
# calculate the distance and store it in dst
dst=cmd.distance('tmp','B///297/cb','A///17-19/cb')
# write the formatted value of the distance (dst)
# to the output file
f.write("%8.
> # out to the file "dist.txt"
>> # Simply change your selections to see different distances.
>>
>> # import PyMOL's command namespace
>> from pymol import cmd
>>
>> # open dist.txt for writing
>> f=open('distnew.txt','w')
>>
>> # calculate
ed value of the distance (dst)
> # to the output file
> f.write("%8.3f\n"%dst)
>
> # close the output file.
> f.close()
>
> From: Robert Campbell [robert.campb...@queensu.ca]
> Sent: Monday, June 09, 2014 10:04 AM
> To: pymol-users@lists
ut file
f.write("%8.3f\n"%dst)
# close the output file.
f.close()
From: Robert Campbell [robert.campb...@queensu.ca]
Sent: Monday, June 09, 2014 10:04 AM
To: pymol-users@lists.sourceforge.net
Subject: Re: [PyMOL] command question RE printing out distances to text file
Hi Suzanne,
You
printing out distances to text file
Hi Suzanne,
You can also get the distance printed in the external GUI or terminal window
by using the "cmd.distance" version of the command. So either you can
assign the distance to a variable and print it or you can print the result
directly.
Assuming yo
Hi Suzanne,
You can also get the distance printed in the external GUI or terminal window
by using the "cmd.distance" version of the command. So either you can
assign the distance to a variable and print it or you can print the result
directly.
Assuming you have two selections, sele1 and sele2 sp
Hi Suzanne,
You can also get the distance printed in the external GUI or terminal window
by using the "cmd.distance" version of the command. So either you can
assign the distance to a variable and print it or you can print the result
directly.
Assuming you have two selections, sele1 and sele2 sp
Hi Suzanne,
you can use the get_distance command. It doesn't generate a distance object but
prints the distance to the external window.
http://pymolwiki.org/index.php/Get_Distance
Cheers,
Thomas
On 06 Jun 2014, at 23:03, Lapolla, Suzanne M (HSC)
wrote:
> Fellow Pymol Users:
> I may have a
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