Mary,
You can write a Python loop like the following:
f=open("distance.txt","w")
pairs = ( \
( "45/ca", "47/ca"), \
( "45/ca", "49/ca"), \
( "45/ca", "51/ca"), \
)
for a in pairs:\
f.write("%-10s %-10s %8.3f\n"%(a[0],a[1],cmd.get_distance(a[0],a[1])))
f.close()
will create a file like:
45/ca 47/ca 6.737
45/ca 49/ca 11.982
45/ca 51/ca 16.304
Note: PyMOL 0.97 or above may be required for the get_distance command (I
think).
Cheers,
Warren
--
mailto:[email protected]
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154
Fax (650)-593-4020
> -----Original Message-----
> From: [email protected]
> [mailto:[email protected]] On Behalf Of
> Mary C. Corbett
> Sent: Tuesday, September 21, 2004 10:27 AM
> To: [email protected]
> Subject: [PyMOL] logging distances in a dist object
>
> Is there a way to print the distances generated in a "dist"
> object by the dist command or by a mouse selection into a log
> file. I can see them on the screen but I'd like to be able
> to write them to a separate file.
>
> Thanks
> Mary
>
>
>
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