Re: [PyMOL] Save command output to a file in pymol
Thank you for your replay. Running the command from a python code is much better for me. But can you elaborate more about the code? it still gives me a syntax error: file.py import pymol f=open("ss.txt","w") iterate n. CA, f.write(resi + ':' + ss+"\n") f.close() Result: File "1.py", line 3 iterate n. CA, print ss #f.write(resi + ':' + ss+"\n") ^ SyntaxError: invalid syntax How can I fix it? Where do I call the .pdb file? On Jan 13, 2017, at 02:59 pm, Spencer Bliven <spencer.bli...@gmail.com> wrote: This can be done using normal python file i/o: f=open("ss.txt","w") iterate n. CA, f.write(resi + ':' + ss+"\n") f.close() On Fri, Jan 13, 2017 at 10:38 AM, Academic Research <ac.resea...@icloud.com> wrote: That would be good as well, How? keep in mind, my protein is synthetic, it is not from the PDB database, and the .pdb file only contains ATOMS, no header or anything else. On Jan 13, 2017, at 12:37 pm, Albert <mailmd2...@gmail.com> wrote: I think you can obtain it from your Linux terminal On 01/13/2017 10:34 AM, Academic Research wrote: Pymol Professionals I need your help, I have the following command: iterate n. CA, print resi + ':' + ss I use this command in pymol to print out each residue number and its corresponding secondary structure. The command prints out the result in pymol itself. My question is: How can I save the output from this command into a file? AC Research -- Developer Access Program for Intel Xeon Phi Processors Access to Intel Xeon Phi processor-based developer platforms. With one year of Intel Parallel Studio XE. Training and support from Colfax. Order your platform today. http://sdm.link/xeonphi ___ PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net) Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net -- Developer Access Program for Intel Xeon Phi Processors Access to Intel Xeon Phi processor-based developer platforms. With one year of Intel Parallel Studio XE. Training and support from Colfax. Order your platform today. http://sdm.link/xeonphi___ PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net) Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net
Re: [PyMOL] Save command output to a file in pymol
That would be good as well, How? keep in mind, my protein is synthetic, it is not from the PDB database, and the .pdb file only contains ATOMS, no header or anything else. On Jan 13, 2017, at 12:37 pm, Albert <mailmd2...@gmail.com> wrote: I think you can obtain it from your Linux terminal On 01/13/2017 10:34 AM, Academic Research wrote: Pymol Professionals I need your help, I have the following command: iterate n. CA, print resi + ':' + ss I use this command in pymol to print out each residue number and its corresponding secondary structure. The command prints out the result in pymol itself. My question is: How can I save the output from this command into a file? AC Research -- Developer Access Program for Intel Xeon Phi Processors Access to Intel Xeon Phi processor-based developer platforms. With one year of Intel Parallel Studio XE. Training and support from Colfax. Order your platform today. http://sdm.link/xeonphi___ PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net) Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net
[PyMOL] Save command output to a file in pymol
Pymol Professionals I need your help, I have the following command: iterate n. CA, print resi + ':' + ss I use this command in pymol to print out each residue number and its corresponding secondary structure. The command prints out the result in pymol itself. My question is: How can I save the output from this command into a file? AC Research -- Developer Access Program for Intel Xeon Phi Processors Access to Intel Xeon Phi processor-based developer platforms. With one year of Intel Parallel Studio XE. Training and support from Colfax. Order your platform today. http://sdm.link/xeonphi___ PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net) Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net
[PyMOL] ray 2400 (NOT ray_trace) each frame of a movie
So far there is only info about how to "ray_trace" each frame of a movie while exporting to .png images. My question: How can I "ray 2400" each image (regardless of my computer screen size - because I have a small computer) so i can get very high resolution images that i can combine together into a high resolution movie. Regards, AC Research-- Check out the vibrant tech community on one of the world's most engaging tech sites, Slashdot.org! http://sdm.link/slashdot___ PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net) Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net
[PyMOL] Radius of Gyration
Dear everyone, The following link has a script about calculating the radius of gyration for a protein: https://pymolwiki.org/index.php/Radius_of_gyration Can someone explain the steps of the calculation? what are the rr and mm values? in the comments it just says (First part of the sum under the sqrt) for rr, and (Second part of the sum under the sqrt) for mm, but there is no indication what they are. Also why in the sqrt is rr/(tmax - mm) isnt tmax the total mass of the protein? so what are you minusing from it? Regards, AC Research-- Check out the vibrant tech community on one of the world's most engaging tech sites, Slashdot.org! http://sdm.link/slashdot___ PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net) Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net