Re: [PyMOL] improving interoperability between python molecule toolkits

2002-12-12 Thread Michael Banck
On Thu, Dec 12, 2002 at 10:33:47AM +, Jules Jacobsen wrote: I completely agree here, an integrated total platform would be immensely useful. I think that the problem is not necessarily all that far from a solution- currently there is a collaborative computing project for NMR (CCPN)

Re: [PyMOL] improving interoperability between python molecule toolkits

2002-12-12 Thread Michael Banck
Hi again, Ok, so the license is available at http://www.bio.cam.ac.uk/nmr/ccp/project/about_ccpn/licensing/licensing.html Unfortunately, this looks quite incompatible to the GPL: (2) Conditions for DISTRIBUTION of SOFTWARE to MEMBERS (2.1) An individual or ORGANISATION must be a MEMBER of

Re: [PyMOL] April PyMOL News: Kick-off, OpenGL Cards, Unix

2003-04-20 Thread Michael Banck
Hi, On Sat, Apr 19, 2003 at 12:11:12PM -0800, Warren L. DeLano wrote: Mac, Linux, and Windows will remain the primary PyMOL platforms, but I welcome your feedback on the following question: How important is it that PyMOL run well (be tested and released for use) under traditional Unix

Re: [PyMOL] RE: PyMOL v0.88 Released

2003-06-05 Thread Michael Banck
On Thu, Jun 05, 2003 at 02:35:24PM +0100, Andy Calder wrote: Well I'm fairly new to the fink / X11 way of using PyMOL on a Mac but I self updated fink to version: 0.13.0 (Distribution version: 0.5.2.cvs) Without a hitch and did an update-all but fink reports pymol remains at 0.86-3. Just

Re: [PyMOL] pymol problems with Mandrake 9.1

2003-09-10 Thread Michael Banck
On Tue, Sep 09, 2003 at 06:40:37AM -0700, Warren L. DeLano wrote: RPM doesn't look at the file system (AFAIK), it looks in the RPM database for the names of (Redhat-specific) known dependency packages. AFAIK, rpms can also declare file-dependencies. Whether this is a good thing or not, I

Re: [PyMOL] energy minimisation in python

2003-09-18 Thread Michael Banck
On Thu, Sep 18, 2003 at 05:48:56PM +0100, Paulo Martel wrote: On Thu, 2003-09-18 at 14:36, Alan Wilter Sousa da Silva wrote: And about Ghemical project? Ghemical is not a Python project, it is a GNU GPL package written in C FWIW, ghemical is written in C++. using the Gtk toolkit,

[PyMOL] pyopengl broken?

2003-10-04 Thread Michael Banck
Hi, I've got a bug on pyopengl (http://bugs.debian.org/214026). Seems the immeadiate fix is --- pymol-0.90.orig/setup.py +++ pymol-0.90/setup.py @@ -32,7 +32,7 @@ else: inc_dirs=[layer0,layer1,layer2,layer3,layer4,layer5] libs=[GL,GLU,glut,png] - pyogl_libs = [] + pyogl_libs =

Re: [PyMOL] gtk+ gui

2003-12-14 Thread Michael Banck
On Sun, Dec 14, 2003 at 10:27:35PM +, Ramanan Selvaratnam wrote: On Sun, 2003-12-14 at 19:49, Ben Cornett wrote: I'm not much of a graphic artist, so I will probably stay away from creating any custom button pixmaps. I will be happy to look into this although it is not clear what is

Re: [PyMOL] Trying to plug APBS into PyMOL for electrostatics (almost working)

2003-12-17 Thread Michael Banck
On Wed, Dec 17, 2003 at 06:00:44PM -0500, Michael George Lerner wrote: I've gotten the code much closer to working. Also, I think it's factored well enough that most of it should be non-GPL-contaminated. After I actually get it working completely, I'll email the APBS folks to see if they

Re: [PyMOL] Trying to plug APBS into PyMOL for electrostatics (almost working)

2003-12-17 Thread Michael Banck
On Thu, Dec 18, 2003 at 12:26:48AM +0100, Michael Banck wrote: On Wed, Dec 17, 2003 at 06:00:44PM -0500, Michael George Lerner wrote: I've gotten the code much closer to working. Also, I think it's factored well enough that most of it should be non-GPL-contaminated. After I actually get

Re: [PyMOL] searchable archive?

2004-01-05 Thread Michael Banck
On Mon, Jan 05, 2004 at 11:11:15AM -0800, Mark Wilke wrote: Is there a searchable archive of this newsgroup? There's a browsable archive at http://sourceforge.net/mailarchive/forum.php?forum_id=60 Dunno whether one can search it, too. Michael

Re: [PyMOL] pyopengl broken?

2004-01-14 Thread Michael Banck
really happy, if you can help me resolving this discrepancy. Gabor --8-- On Sat, Oct 04, 2003 at 11:11:05PM +0200, Michael Banck wrote: Hi, I've got a bug on pyopengl (http://bugs.debian.org/214026). Seems the immeadiate fix is --- pymol-0.90.orig/setup.py +++ pymol-0.90/setup.py @@ -32,7

Re: [PyMOL] Ray Tracing Crash

2004-01-21 Thread Michael Banck
On Tue, Jan 20, 2004 at 10:52:17PM -0800, Morri Feldman wrote: My debian/testing system at home also has trouble ray tracing, especially with sticks. When it fails I get a segmentation fault. What architecture are you running on? i386 or something else? Do you use pymol's internal

Re: [PyMOL] Ray Tracing Crash

2004-01-22 Thread Michael Banck
On Wed, Jan 21, 2004 at 09:11:01PM -0800, Morri Feldman wrote: Regarding my problems raytracing on my debian/testing machine. What is the exact version of the pymol .deb you're using? 0.93-2? What architecture are you running on? i386 or something else? Do you use pymol's internal raytracer, or

Re: [PyMOL] 64-bit

2004-03-08 Thread Michael Banck
On Mon, Mar 08, 2004 at 10:55:15AM -0800, Warren DeLano wrote: It has been a while since anyone's tried to build/run PyMOL on a 64-bit system...it may not currently be 64-bit clean. For the record, 64 bit Debian packages are built on alpha and ia64 (I believe the other architectures are

Re: [PyMOL] Ray Tracing Bug in Pymol 0.93 on SuSE Linux 8.2

2004-04-08 Thread Michael Banck
On Thu, Feb 19, 2004 at 12:24:53PM +0100, Michael Banck wrote: On Thu, Feb 19, 2004 at 08:22:14AM +0100, Thomas Siegmund wrote: For me PyMol on SuSE 8.2 crashed always when raytracing a line element. That seems to be identical to Debian Bug #229080 (http://bugs.debian.org/229080

Re: [PyMOL] installation problem

2004-04-15 Thread Michael Banck
On Thu, Apr 15, 2004 at 10:27:32AM -0400, Shu-Hsien Sheu wrote: [mfitz...@man local]$ sudo rpm -V pymol-0.95-1 package pymol-0.95-1 is not installed Just a shot in the dark, but are you sure the package is called pymol-0.95-1 and not just pymol? Michael

Re: [PyMOL] GLX error

2004-05-11 Thread Michael Banck
On Tue, May 11, 2004 at 05:18:37PM -0500, rbax...@uchicago.edu wrote: I am running Pymol 0.95 on Mandrake Linux 10.0, or at least I was until today. Yesterday I performed a standard update on the system, and today pymol crashes with the following error: GLUT: Fatal Error in pymol.exe: OpenGL

Re: [PyMOL] PyMOL-Debian-linux x86 package

2004-07-29 Thread Michael Banck
On Thu, Jul 29, 2004 at 04:44:32PM +0200, Vladimir Daric wrote: Hello I made a Debian package for Pymol (only for x86 arch). Here are instructions for how to get it and how to use it. There are two ways to install pymol from a Debian package : The automatic way: add this line in your

Re: [PyMOL] PyMOL tutorial (moved and slightly updated)

2004-08-13 Thread Michael Banck
On Fri, Aug 13, 2004 at 08:34:17AM -0500, D. Joe Anderson wrote: I have a small tutorial for getting started with PyMOL and I have no idea if people actually use it... Anyway, our server has changed and the webpage has been moved to: http://www.microbiology.ubc.ca/eltis/pymol/ Can you

Re: [PyMOL] PyMOL tutorial (moved and slightly updated)

2004-08-23 Thread Michael Banck
On Fri, Aug 20, 2004 at 09:37:00AM -0700, chuit...@interchange.ubc.ca wrote: In any case, you ask a useful question: I too would like to know what license, if any, is granted by the tutorial's authors. If released under an appropriate license, it could be modified for Linux/Unix/MacOSX

Re: [PyMOL] Warning: Nvidia 6111 drivers for linux

2004-10-14 Thread Michael Banck
On Wed, Oct 13, 2004 at 06:12:11PM +0200, peter.du...@cellbio.unige.ch wrote: According to a thread on PyKDE, The tls (thread local storage) stuff only works if you are running a tls-enabled glibc on a 2.6 kernel, and when installing nvidia-glx, you are normally asked by debconf on what to use.

Re: [PyMOL] debian: error in opening pymol

2006-06-21 Thread Michael Banck
On Fri, Jun 09, 2006 at 12:30:01PM +0530, Arvind Marathe wrote: Error: unable to initialize plugin 'apbs_tools'. I don't think this is the default, did you install over a local version or something? Michael

Re: [PyMOL] chempy documentation

2006-11-24 Thread Michael Banck
On Mon, Nov 20, 2006 at 10:27:48AM -0800, DeLano Scientific wrote: My preference would be for a fast, clean, back-end cheminformatics library with a simple C API that could be exposed to and interporate with Python, Java, C, C++, SQL, and .NET. Several proprietary examples of this design

Re: [PyMOL] python/pymol malfunction on new Ubuntu installation

2008-07-22 Thread Michael Banck
On Tue, Jul 22, 2008 at 03:38:53PM +0100, Daniel Rigden wrote: First let me confess that my problem does not just involved pymol. However, it is hampering my use of pymol amongst other things and there must be many python experts who read this list. My problem, on a completely fresh Ubuntu

Re: [PyMOL] image on pymol.org

2009-03-19 Thread Michael Banck
On Thu, Mar 19, 2009 at 05:24:41PM +0100, Justin Lecher wrote: some time ago I asked for the script you used for the image on pymol.org and I lost it somewhere. Could you post it again, please? If you mean the main image at the top, you can probably get the effect using the QuteMol Like section

Re: [PyMOL] GIT'r Done

2009-05-06 Thread Michael Banck
On Mon, May 04, 2009 at 11:09:06PM +0200, Justin Lecher wrote: Waren points me to the fact, that it might be good to explain how to work with the github. I wrote a little howto, but there are alot more in the web, which can be easily be found via google. I think nonetheless it is a good

[PyMOL] subversion revision for 1.2?

2009-07-04 Thread Michael Banck
Hi, maybe I missed it in the announcement, but what is the subversion revision for 1.2? I can't find a tag in the repo, nor any obvious commit message. Thanks, Michael --

Re: [PyMOL] pymol and freemol

2010-04-15 Thread Michael Banck
On Thu, Apr 15, 2010 at 11:53:06AM -0600, Maia Cherney wrote: I downloaded apbs and pdb2pqr, but I don't know how to install them on my ubuntu 9.04. Is it possible to make an easy to install release? For now, could you please send me the instruction. apbs is available in Ubuntu (via Debian)

Re: [PyMOL] Autodock plugin

2010-05-07 Thread Michael Banck
Hi, On Tue, Feb 16, 2010 at 08:26:00PM +0100, Daniel Seeliger wrote: take a look into ~/.ADplugin/pymol_autodock_plugin.conf and set the path to the autodocktools scripts correctly. Then the plugin should find them. Speaking of which, I was just taking a look about including your autodock

Re: [PyMOL] Intel Video - Please Respond

2012-04-09 Thread Michael Banck
Hi, On Thu, Apr 05, 2012 at 08:01:11AM -0400, Jason Vertrees wrote: Due to the number of problems that arise when rendering on Intel video cards, we're going to automatically disable new rendering features if an Intel video card is detected. You will be able to use PyMOL, but with the older,

Re: [PyMOL] Improved Plugin Manager

2012-05-02 Thread Michael Banck
On Mon, Apr 30, 2012 at 01:14:39PM -0400, Jason Vertrees wrote: This is just a quick note to let you know that as of revision 3997 PyMOL has an improved plugin/script manager. This system was written by Thomas Holder as part of his PyMOL Open Source Fellowship. Some new features include: *

Re: [PyMOL] Improved Plugin Manager

2012-05-02 Thread Michael Banck
Hi, On Wed, May 02, 2012 at 09:39:59AM -0400, Jason Vertrees wrote: Thanks for this feedback. Since the inception the Script Library on the PyMOLWiki the policy is that all deposited scripts are open-source: http://pymolwiki.org/index.php/Category_talk:Script_Library#Policy. This link is

Re: [PyMOL] Intel Video - Please Respond

2012-05-02 Thread Michael Banck
Hi, On Mon, Apr 09, 2012 at 11:01:35AM -0400, Jason Vertrees wrote: The latest commit (3995) should fix this for the Intel card. Try pulling the latest (3996) from the open source branch. That worked splendidly, I am uploading pymol-1.5.0.1 with some subversion changesets to Debian now. Are

Re: [PyMOL] PyMOL 1.6 pre-release announcement

2013-03-24 Thread Michael Banck
Hi, On Sun, Mar 24, 2013 at 11:02:08AM +0100, Thomas Holder wrote: The pre-release version of PyMOL 1.6 has been pushed to the open source repository on SourceForge. Besides several minor fixes and improvements, this version should complete the transition to shader-based rendering for all

Re: [PyMOL] PyMOL 1.6 pre-release announcement

2013-03-25 Thread Michael Banck
Hi, On Sun, Mar 24, 2013 at 11:02:08AM +0100, Thomas Holder wrote: The pre-release version of PyMOL 1.6 has been pushed to the open source repository on SourceForge. Besides several minor fixes and improvements, this version should complete the transition to shader-based rendering for all

Re: [PyMOL] PyMOL 1.6 pre-release announcement

2013-03-25 Thread Michael Banck
Hi Stephen, On Mon, Mar 25, 2013 at 01:33:16PM -0400, Stephen P. Molnar wrote: On Sun, 24 Mar 2013 11:02:08 +0100 Thomas Holder thomas.hol...@schrodinger.com wrote: The pre-release version of PyMOL 1.6 has been pushed to the open source repository on SourceForge. Besides several minor fixes

Re: [PyMOL] PyMOL v1.7 Released

2014-01-20 Thread Michael Banck
Hi, On Tue, Jan 14, 2014 at 05:11:51PM -0600, Jason Vertrees wrote: We are happy to announce the release of PyMOL v1.7.0.0! Congrats! One thing though: the open-source splash image has not been updated for 1.7 and still says 1.6.x. Michael

[PyMOL] mutagenesis wizard data file loading

2014-01-20 Thread Michael Banck
Hi, I noticed that the mutagenesis wizard uses PYMOL_PATH/data to locate the chempy sidechains, however, PYMOL_DATA would be more appropriate if the data is not installed alongside the pymol modules. The attached patch fixes this. Michael --- ./modules/pymol/wizard/mutagenesis.py.orig

[PyMOL] Race condition when running scripts in stdin mode

2015-06-23 Thread Michael Banck
Hi, on Debian, we got a bug report which looks like the bug reported here as well: http://sourceforge.net/p/pymol/bugs/130/ Unfortunately, there has been no discussion of this bug so far. There seems to be some race condition for scripts, does anybody a work-around, and/or fix for this? Or is

Re: [PyMOL] PyMOL 1.7.2 on Ubuntu 15.04

2015-06-13 Thread Michael Banck
Hi, On Sat, Jun 13, 2015 at 09:38:40PM +1000, Brenton Horne wrote: set ray_opaque_background, 1 png Trimethoprim_img0003.png, dpi=500, ray=1, width = 4000, height = 2325 to render a structure of Trimethoprim I had loaded. While the rendering was somewhat better than that generated on 1.7.6,

Re: [PyMOL] svn version number is ... ?

2017-10-20 Thread Michael Banck
Hi, On Fri, Oct 20, 2017 at 11:37:56AM -0700, mathog wrote: > Pymol 2.0 was recently announced That announcement was misleading, while the subject indeed said that, what was actually announced was the proprietary Pymol *incentive* 2.0 release. The open source 2.0 release is apparently pushed