[PyMOL] how to add an oxygen atom in carbonyl group?

2014-11-19 Thread t . sadhukhan
Hi, I am a new user of pymol. My question is how to add an oxygen atom in carbonyl group? Thanks, Tumpa Sadhukhan. Ph.D Scholar, IIT Bombay, India. -- Download BIRT iHub F-Type - The Free Enterprise-Grade BIRT Serv

Re: [PyMOL] View Matrix operation

2014-11-19 Thread Sampson, Jared
Hi Louris - If your view is centered on the atom from which you would like to draw the line, and oriented the way you want it, you can achieve something similar to what it sounds like you want with the following commands. center myAtom move x, -4 # `move` works in camera space pseudoa

Re: [PyMOL] saving cif files and atom numbering

2014-11-19 Thread Thomas Holder
Hi Pascal, these changes are beyond the versioned source tarballs. The SVN repository is more frequently updated to make new (often experimental) features available to people who like to test them or need them urgently. CIF write support was added in this commit: http://sourceforge.net/p/pymol/cod

Re: [PyMOL] View Matrix operation

2014-11-19 Thread Takanori nakane
Dear Louris, Probably "axes" script at http://www.pymolwiki.org/index.php/Axes is a good staring point to study. Best regards, Takanori Nakane On Wed, 19 Nov 2014 12:14:29 + "Feitsma, L.J." wrote: > Hi all, > > I have a small question about transformations with the view matrix in pymol,

Re: [PyMOL] View Matrix operation

2014-11-19 Thread Robert Hanson
I don't think this is possible. Those 9 numbers simply tell you the orientation. There is much more to it than that. Perspective, camera position, x-y translation, screen dimensions, for example. Some of these are in other PyMOL settings. On Wed, Nov 19, 2014 at 6:14 AM, Feitsma, L.J. wrote: >

[PyMOL] saving cif files and atom numbering

2014-11-19 Thread Pascal Auffinger
Hi, Thomas pointed to me that the code for saving cif files is already in the open source directory. We need some help here. The current version is 1.7.2.3. In Sourceforge it is 1.7.2.2. We didn't find the option for saving .cif files as indicated by Thomas in his last reply. ___ we have imp

[PyMOL] View Matrix operation

2014-11-19 Thread Feitsma, L.J.
Hi all, I have a small question about transformations with the view matrix in pymol, since I'm not very familiar with the architecture of the matrix. E.g. I take some coordinates [x1,y1,z1], and using cgo objects, I want to draw a line/triangle/square to a point distance 4 to the right on the s