From: Mary C. C. <mca...@st...> - 2004-09-21 17:26:56
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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 |
From: Warren D. <wa...@de...> - 2004-09-21 18:29:17
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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:wa...@de... Warren L. DeLano, Ph.D. Principal Scientist DeLano Scientific LLC Voice (650)-346-1154 Fax (650)-593-4020 > -----Original Message----- > From: pym...@li... > [mailto:pym...@li...] On Behalf Of > Mary C. Corbett > Sent: Tuesday, September 21, 2004 10:27 AM > To: pym...@li... > 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 > > > > ------------------------------------------------------- > This SF.Net email is sponsored by: YOU BE THE JUDGE. Be one > of 170 Project Admins to receive an Apple iPod Mini FREE for > your judgement on who ports your project to Linux PPC the > best. Sponsored by IBM. > Deadline: Sept. 24. Go here: http://sf.net/ppc_contest.php > _______________________________________________ > PyMOL-users mailing list > PyM...@li... > https://lists.sourceforge.net/lists/listinfo/pymol-users > |