[PyMOL] using pymol commands in a script

2013-09-04 Thread Anasuya Dighe
Hi everyone, How to write PyMol commands in Python script, save a session and then save a .png file of the same ? I have an input file which has the protein information i.e name, chain, and a list of residues. I want to plot the C-alpha atoms of these residues for each protein calculate

Re: [PyMOL] Embedding PyMol in a custom designed GUI

2013-09-04 Thread Alessia Visconti
Hi all, as Raj, I'm also wondering if there is any way to embed PyMOL in my PyQt4 GUI. Does anyone has any suggestion about where/how to start? Thanks in advance, Alessia Hello all, I have recently been looking for tips or help on embedding PyMol into a GUI built upon Qt4. I looked at this

Re: [PyMOL] Embedding PyMol in a custom designed GUI

2013-09-04 Thread Андрей Гончар
Hi Try to run self.pymolInstance.finish_launching() after self.pymolInstance.start() 2013/9/4 Alessia Visconti alessia.visco...@gmail.com Hi all, as Raj, I'm also wondering if there is any way to embed PyMOL in my PyQt4 GUI. Does anyone has any suggestion about where/how to start?

Re: [PyMOL] Embedding PyMol in a custom designed GUI

2013-09-04 Thread Massimiliano Pippi
On Wed, Sep 4, 2013 at 12:48 PM, Alessia Visconti alessia.visco...@gmail.com wrote: Hi all, as Raj, I'm also wondering if there is any way to embed PyMOL in my PyQt4 GUI. Does anyone has any suggestion about where/how to start? if you need to embed PyMol in a C++ Qt application you can take a

Re: [PyMOL] Embedding PyMol in a custom designed GUI

2013-09-04 Thread Alessia Visconti
This is a good news (and starting point), thanks for the tip! On the other hand I need to translate all my code in C++. Any thought of making a version for a Python Qt application? ;) Cheers, Alessia On 4 September 2013 13:18, Massimiliano Pippi ma...@evonove.it wrote: On Wed, Sep 4, 2013 at

Re: [PyMOL] using pymol commands in a script

2013-09-04 Thread David Hall
I couldn't reproduce the exact error message you received, but I will note: (1) your splitting of lines leaves out the chain, so chain is never defined (2) line 9 of your python is missing an opening quotation mark before (resi matching the closing quotation mark right before the % sign (3) line

[PyMOL] Sequence numbers in MacPyMOL 1.6.0.0 with background set to white

2013-09-04 Thread Engin Özkan
Hi everybody, Using MacPyMOL 1.6.0.0 Incentive Build, I no longer can see residue numbers in the sequence if the background is set to white. I have been playing with all the seq_view_* settings (thanks for documenting them clearly within the Edit All Settings window!), especially

[PyMOL] Fwd: issue with the allign command

2013-09-04 Thread Tsjerk Wassenaar
For the record... -- Forwarded message -- From: Pascal Auffinger p.auffin...@ibmc-cnrs.unistra.fr Date: Wed, Sep 4, 2013 at 3:54 PM Subject: Re: [PyMOL] issue with the allign command To: tsje...@gmail.com Hi Tsjerk, Apparently, the problem comes from the fact that I used set

Re: [PyMOL] color change upon ray-tracing

2013-09-04 Thread Thomas Holder
Hi Vaheh, there should be no color difference, apart from lighting effects. Ray tracing always draws cylinders for mesh, real-time rendering supports lines and cylinders. Real-time rendering and ray tracing should be almost identical with these settings: PyMOL set use_shaders PyMOL set

Re: [PyMOL] Embedding PyMol in a custom designed GUI

2013-09-04 Thread Massimiliano Pippi
On Wed, Sep 4, 2013 at 2:29 PM, Alessia Visconti alessia.visco...@gmail.com wrote: This is a good news (and starting point), thanks for the tip! On the other hand I need to translate all my code in C++. Any thought of making a version for a Python Qt application? ;) Good for you, embedding

Re: [PyMOL] set line_width command doesn't work

2013-09-04 Thread H. Adam Steinberg
You just have to Ray the figure to see the changes. On Sep 4, 2013, at 10:21 AM, sunyeping sunyep...@aliyun.com wrote: Dear all I want to make line presentation in pymol looks more thicker so I enter set line_width, 3, but the lines in the viewer window don't show any change. Have you

Re: [PyMOL] Sequence numbers in MacPyMOL 1.6.0.0 with background set to white

2013-09-04 Thread Engin Özkan
Thanks, Vaheh. As I did say that in my first post, actually purple, brown, forest etc. work too. But none of the primary colors (RGB or CMYK) does. And a number of them (like pink) give wrong colors. And thanks for confirming the issue. Engin On 9/4/13 4:03 PM, Oganesyan, Vaheh wrote: Engin,

Re: [PyMOL] Sequence numbers in MacPyMOL 1.6.0.0 with background set to white

2013-09-04 Thread Oganesyan, Vaheh
Engin, If you go to Edit_all and change the seq_view_label_color to grey the numbers will become visible with white bkgr. Vaheh -Original Message- From: Engin Özkan [mailto:eoz...@stanford.edu] Sent: Wednesday, September 04, 2013 4:40 PM To: pymol-users@lists.sourceforge.net

Re: [PyMOL] Sequence numbers in MacPyMOL 1.6.0.0 with background set to white

2013-09-04 Thread Engin Özkan
I forgot to explicitly say, this is only for the Sequence View panel, which has a black background regardless of the background parameter. And it applies to both sequence numbers and chain labels. Sequences themselves are displayed correctly. Engin On 9/4/13 12:59 PM, Engin Özkan wrote: Hi