Re: [PyMOL] stereo requirements

2015-06-01 Thread EPF (Esben Peter Friis)
Hi Gary GeForce cards do support Nvidia 3D vision 2 under Windows, but in full screen only. (Tested with Windows 8, PyMOL and an Alienware 3D-capable laptop). If you need stereo-in-a-window, you must have a Quadro card. It works with Yasara too (full screen), but for unknown reasons, the stereo

Re: [PyMOL] NVIDIA 3D error

2013-07-21 Thread EPF (Esben Peter Friis)
I thought all quadro cards supported stereo? (must admit that I'm not sure :-) The 3 pin stereo connector is not needed to get stereo with the Asus monitors - they get the stereo sync via DVI. But the stereo mode 10 and/or 11 must be supported by the card and driver. My main problem was to

Re: [PyMOL] NVIDIA 3D error

2013-07-20 Thread EPF (Esben Peter Friis)
and still no stereo. However, when we upgraded from RHEL5 to RHEL6 everything worked perfectly. One point of difference between our setup and the one quoted below is we have Stereo set to 10 and not 11. 11 is for VisionPro which uses RF instead of the IR emitters. Malcolm From: EPF (Esben Peter

Re: [PyMOL] NVIDIA 3D error

2013-07-19 Thread EPF (Esben Peter Friis)
Hi Dick A hint about your setup would be helpful :-) I Assume you use Linux. Our ASUS VG278H monitors works fine in 3D stereo with Nvidia Quadro FX5800 cards. I have pasted my notes about how I configured X. Cheers, Esben Asus VG278H flat panel 3D screens and Ubuntu 12.04 These screen

Re: [PyMOL] Viewing PyMol in 3D

2012-12-11 Thread EPF (Esben Peter Friis)
Hi PyMOLers We recently bought Asus V278H monitors, which displays nice stereo under Linux (Ubuntu 12.04). The monitors were bundled with Nvidia 3D vision v2 glasses. We have Quadro FX5800 cards, but we do NOT use the 3-pin stereo port, but rather the built-in emitter in the monitors. I have

Re: [PyMOL] Sequence alignment editing

2008-08-22 Thread EPF (Esben Peter Friis)
Hi Dimitry if you add an object=some name to your align command, then the sequences are shown correctly aligned. The residues used in the alignment are shown in their normal colors, the excluded onses are shown in gray, eg: align obj01CA, obj02CA, object=alignment I think you should

Re: [PyMOL] 3D Glasses. Where to buy them ?

2007-10-31 Thread EPF (Esben Peter Friis)
Hi Sabuj Do these only work for programs under Linux that specifically implement page flipping stereo? Yes. The application must support OpenGL stereo. I have tested with the following programs: - VMD - PyMOL - Accelrys InsightII - Accelrys DiscoveryStudio The software that they

Re: [PyMOL] 3D Glasses. Where to buy them ?

2007-10-30 Thread EPF (Esben Peter Friis)
Hi David Try http://www.edimensional.com/. They have a UK sales office. We use those glasses with our Linux systems, and they work fine :-) /Esben Best Regards Esben Peter Friis Phone: +45 44461334 E-mail: e...@novozymes.com

Re: [PyMOL] Trouble making pictures in a script

2007-10-26 Thread EPF (Esben Peter Friis)
Hi Michael If the system is very big and causes the ray tracing to crash, try to lower the hash_max setting. I think the default is 100. If the setting is lower, it will be slower, but use less memory. (and vice versa :-) All the best Esben -Original Message- From:

Re: [PyMOL] questions

2007-03-21 Thread EPF (Esben Peter Friis)
Hi Chandra If the sequences have some similarity, it is no problem :-) align structure1 and chain B and name CA, structure2 and chain C and name CA All the best Esben -Original Message- From: pymol-users-boun...@lists.sourceforge.net

Re: [PyMOL] Cutaway surfaces

2006-08-02 Thread EPF (Esben Peter Friis)
Hi Rob A bit confusing :-) But the trick in such cases is usually to duplicate your object, and show the cutaway surface on the original and the cartoon/helix/etc on the copy. The cutaway surface is often easier to create by box-selecting (with the mouse) everything but the part that should

Re: [PyMOL] Putty

2006-07-27 Thread EPF (Esben Peter Friis)
Hi Elo The formula for cmputing the putty radius is found in layer1/ Extrude.c in the source: switch(source_field) { default: /* b*/ scale = (range+(at-b - mean)/stdev)/range; if(scale0.0F) scale = 0.0F; scale=(float)pow(scale,power);

Re: [PyMOL] Putty

2006-07-27 Thread EPF (Esben Peter Friis)
Hi Elo The formula for cmputing the putty radius is found in layer1/ Extrude.c in the source: switch(source_field) { default: /* b*/ scale = (range+(at-b - mean)/stdev)/range; if(scale0.0F) scale = 0.0F; scale=(float)pow(scale,power);

RE: [PyMOL] run out of memory problem

2006-04-27 Thread EPF (Esben Peter Friis)
If the Mac version has the option hash_max, try to decrease it. The rendering will take longer, but the memory usage will be lower. For example: set hash_max, 50 Try with different values. I think the default is 100. Best wishes Esben -Original Message- From:

RE: [PyMOL] (no subject)

2006-03-04 Thread EPF (Esben Peter Friis)
Hi Blanton You are probably looking for the symexp command. I don't remember the exact syntax, but there is a small help text. You can also try to search the mail archive. Best wishes Esben -Original Message- From: pymol-users-ad...@lists.sourceforge.net on behalf of Blanton

RE: [PyMOL] NAMD/dcd

2006-02-12 Thread EPF (Esben Peter Friis)
Hi Arturas! A - relatively - easy way to read DCDs into PyMOL is: * Convert the .dcd to .trr using catdcd 4.0 (http://www.ks.uiuc.edu/Development/MDTools/catdcd/). At the same time you can concatenate multiple .dcd files, remove solvent, skip frames, etc. * Convert the .trr file to a

RE: [PyMOL] movie of diffusion of atoms/molecules

2006-02-12 Thread EPF (Esben Peter Friis)
Hi Satya You can use the command translate to move the individual objects in pymol. Is takes a list of 3 floating points numbers as the translational vector. I don't know how Pymol would handle 4000 objects, but an alternative might be to load them as states within one object, and then use

RE: [PyMOL] Super-smooth surfaces

2006-01-19 Thread EPF (Esben Peter Friis)
Hi Stephen I also use smooth surfaces - for visualizing results from small angle xray scattering, which is a low resolution technique. I use: set solvent_radius, 4 alter my_protein, vdw=4 sort show surface, my_protein Maybe you can set solvent_radius a little bit higher, but not much, as

RE: [PyMOL] Geowall Testing

2005-10-17 Thread EPF (Esben Peter Friis)
, Esben -Original Message- From: Warren DeLano [mailto:war...@delsci.com] Sent: Mon 2005-10-17 22:06 To: EPF (Esben Peter Friis) Subject: RE: [PyMOL] Geowall Testing Esben, Great! Added: support for the internal gui, pop-up menus, sequence viewer, and command line when using a passive

RE: [PyMOL] Geowall Testing

2005-10-17 Thread EPF (Esben Peter Friis)
Message- From: Warren DeLano [mailto:war...@delsci.com] Sent: Mon 2005-10-17 22:43 To: EPF (Esben Peter Friis) Subject: RE: [PyMOL] Geowall Testing Esben, If that is the case, then you don't actually have a Geowall -- you have a professional stereo device setup that converts the active-stereo

RE: [PyMOL] Implementing PCA

2005-07-19 Thread EPF (Esben Peter Friis)
Hi Yusuf The OpenSource statistics software R (http://www.r-project.org) has many packages that can do PCA, PLS and other multivariate analyses, which we have used with great success. There are several Pyhton interfaces to R, eg. http://www.omegahat.org/RSPython/ http://rpy.sourceforge.net/

RE: [PyMOL] multi cpu rendering

2005-04-19 Thread EPF (Esben Peter Friis)
Hi Neil Have you tried the command set max_threads, 4 That should enforce 4 threads, even on single CPU machines. Then it's up to the kernel scheduler to distribute them to the defferent CPUs Cheers, Esben -Original Message- From:

RE: [PyMOL] high end graphics

2004-11-11 Thread EPF (Esben Peter Friis)
Is it possible to get graphics output higher than 72 dpi? Yes: - The OpenGL rendered graphics can only be saved in the resolution displayed on the screen (using the png command) - The raytracer can generate pictures of any size, eg. ray 8000, 6000; png mypic.png would generate the

RE: [PyMOL] stereo projection with PyMOL

2004-11-04 Thread EPF (Esben Peter Friis)
Hi Joe [cut - two projector stereo projetion system ] What kind of uses does your system see? Is it predominately used by researchers, or by classes, or a good mix between the two? A very rough estimate - 60% internal work, discussions with wet chemists, molecular biologists and

RE: [PyMOL] electrostatic

2004-05-19 Thread EPF (Esben Peter Friis)
Are you using the same platform for both Grasp and Pymol? I don't think that big-endian maps (written by an SGI computer) can be read by a little-endian platform, such as a x86 based PC. - Esben The problem is getting the phi map in grasp. Can somebody explain me how to do it? This is

RE: [PyMOL] Ball Stick representation

2004-05-19 Thread EPF (Esben Peter Friis)
I have mad a lot of these pictures, and the solution is to create two objects for the substrate. object1, displayed as sticks in the desired color, and object2 dipslayed as spheres in the desired color(s) and then set sphere_scale, 0.3, object2 Example (if the file contains a residue named

RE: [PyMOL] Updated OpenGL Hardware Recommendations

2004-05-13 Thread EPF (Esben Peter Friis)
not sure these glasses are available anymore. Best regards Esben -Original Message- From: Peter Haebel [mailto:peter.hae...@staff.uni-marburg.de] Sent: 12. maj 2004 10:05 To: EPF (Esben Peter Friis) Subject: Re: [PyMOL] Updated OpenGL Hardware Recommendations Hi Esben

RE: [PyMOL] Updated OpenGL Hardware Recommendations

2004-05-12 Thread EPF (Esben Peter Friis)
Hi Peter Your posting is a few weeks old, but I could see no replies yet, so I'll try :-) We have single-CPU Dell machines (3 GHz, 2GB RAM), but I suppose you just buy CPU, disk and memory according to your needs (and money :-) You don't write anything about OS, but according to your ps

RE: [PyMOL] Updated OpenGL Hardware Recommendations

2004-05-12 Thread EPF (Esben Peter Friis)
Whops, sorry You _do_ write it is Linux PCs ;-) - Esben

[PyMOL] Rotation of maps when aligning

2004-05-11 Thread EPF (Esben Peter Friis)
Hi PyMOLers I have a bunch of structures, for which I have calculated electrostatic potential maps (using Gromacs and MEAD). I can easily load the structures and corresponding maps into PyMOL and display a color coded surface. But when I try to align the structures, only the atomic coordinates

RE: [PyMOL] Question

2003-12-19 Thread EPF (Esben Peter Friis)
Hi Avram This is possible in cartoon mode in the newer versions of PyMOL (i don't remember exactly from which). You have to select highlight color in the cartoon menu. The default color is grey, but can be changed by set cartoon_highlight_color, color_name, object_name Cheers, Esben

RE: [PyMOL] Electrostatic potential maps in PyMOL

2003-09-14 Thread EPF (Esben Peter Friis)
To: EPF (Esben Peter Friis) Sent: 14-09-03 20:28 Subject: Re: [PyMOL] Electrostatic potential maps in PyMOL Dear Esben, no matter how hard I try, I cannot make pymol read a phi map converted from avs with your utility. The .fld file was generated with the potential program in the latest MEAD

RE: [PyMOL] Nuvision stereo glasses?

2003-07-21 Thread EPF (Esben Peter Friis)
-Original Message- From: Warren L. DeLano To: EPF (Esben Peter Friis) Sent: 21-07-03 18:19 Subject: RE: [PyMOL] Nuvision stereo glasses? Esben, Are you sure you correctly configured the nVidia driver (XF86Config) for Stereo? It's not automatic, but as AFAIK, all the FX's are QBS capable

[PyMOL] Electrostatic potential maps in PyMOL

2003-07-09 Thread EPF (Esben Peter Friis)
Hi PyMOL users, MEAD's potential maps can be used in PyMOL, but it requires a little more than a bit of tweaking, as the maps are in the AVS .fld format, which can not be read by PyMOL. (These maps can be read by Dino, as Paulo just mentioned). Also, PyMOL reads (as far as I can see) only