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## [PyMOL] Measuring Angles

 [PyMOL] Measuring Angles From: Anthony Williams - 2004-08-13 10:38:19 ```Hi,=20 I'm fairly new to Pymol have gone through the documentation I can see a = section for measuring dihedral angles and bond lengths but nothing for = angles between three atom centres. I would like to collect measurements for a group of objects that I have = loaded into pymol, put I'm not sure how to set up a loop. Regards Anthony Williams De Novo Pharmaceuticals ```

 [PyMOL] Measuring Angles From: Anthony Williams - 2004-08-13 10:38:19 ```Hi,=20 I'm fairly new to Pymol have gone through the documentation I can see a = section for measuring dihedral angles and bond lengths but nothing for = angles between three atom centres. I would like to collect measurements for a group of objects that I have = loaded into pymol, put I'm not sure how to set up a loop. Regards Anthony Williams De Novo Pharmaceuticals ```
 RE: [PyMOL] Measuring Angles From: Warren DeLano - 2004-08-13 15:34:31 ```Anthony, New in version 0.97 is a get_angle function that takes three single-atom selections. There is also a get_distance that is more efficient than the distance command (which creates objects)... See "help get_angle" To set up a loop, you'll need to generate a list of selections # for example, the following Python snippet input in a PyMOL command script angles=[ \ ['10/n', '10/ca', '10/c'],\ ['11/n', '11/ca', '11/c']\ ] for triplet in angles: \ print triplet, cmd.get_angle(triplet[0],triplet[1],triplet[2]) # would produce output like the following... ['10/n', '10/ca', '10/c'] 110.502319336 ['11/n', '11/ca', '11/c'] 109.357254028 Cheers, Warren -- mailto:warren@... Warren L. DeLano, Ph.D. Principal Scientist DeLano Scientific LLC Voice (650)-346-1154 Fax (650)-593-4020 > -----Original Message----- > From: pymol-users-admin@... > [mailto:pymol-users-admin@...] On Behalf Of > Anthony Williams > Sent: Friday, August 13, 2004 3:37 AM > To: pymol-users@... > Subject: [PyMOL] Measuring Angles > > Hi, > > I'm fairly new to Pymol have gone through the documentation I > can see a section for measuring dihedral angles and bond > lengths but nothing for angles between three atom centres. > > I would like to collect measurements for a group of objects > that I have loaded into pymol, put I'm not sure how to set up a loop. > > Regards > > Anthony Williams > De Novo Pharmaceuticals > > > ------------------------------------------------------- > SF.Net email is sponsored by Shop4tech.com-Lowest price on > Blank Media 100pk Sonic DVD-R 4x for only \$29 -100pk Sonic > DVD+R for only \$33 Save 50% off Retail on Ink & Toner - Free > Shipping and Free Gift. > http://www.shop4tech.com/z/Inkjet_Cartridges/9_108_r285 > _______________________________________________ > PyMOL-users mailing list > PyMOL-users@... > https://lists.sourceforge.net/lists/listinfo/pymol-users > ```