Re: [PyMOL] Save command output to a file in pymol

2017-01-13 Thread Academic Research

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





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Re: [PyMOL] Save command output to a file in pymol

2017-01-13 Thread Academic Research

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

2017-01-13 Thread Academic Research

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

2017-06-29 Thread Academic Research

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--
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[PyMOL] Radius of Gyration

2018-03-10 Thread Academic Research

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--
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