Re: [COOT] PyGTK in standalone OS X builds

2010-05-17 Thread Nathaniel Echols
On Fri, May 14, 2010 at 2:06 PM, William G. Scott < wgsc...@chemistry.ucsc.edu> wrote: > Check /usr/local/xtal/coot64/bin/coot > > to see if I set $PYTHONPATH right. > > It should have /usr/local/xtal/coot64/lib/python2.6/site-packages/gtk-2.0 It does (and that path appears in sys.path). And I

[COOT] PyGTK in standalone OS X builds

2010-05-14 Thread Nathaniel Echols
When I use the 0.6.1 package from Bill's web site, I get this error when I try to start the Python scripting GUI: COOT_PYTHON_DIR was defined to be /usr/local/xtal/coot64/share/coot/python but no PyGtk and hence no coot_gui. Not sure what to do about this, because it appears to have the module

Re: [COOT] hydrogens hanging after removal of alternate conformation

2010-03-16 Thread Nathaniel Echols
On Tue, Mar 16, 2010 at 12:56 PM, Paul Emsley wrote: > Coot is distributed with a copy of the refmac library, which has PDB > version 2.3 atom names. > > You can override that dictionary by setting up CCP4 in the normal way. > You can further override the dictionary by setting the environment vari

Re: [COOT] opening PDB downloaded .cif files in Mac OS

2010-02-05 Thread Nathaniel Echols
On Fri, Feb 5, 2010 at 12:34 PM, subh wrote: > Hi, > I am trying to open the .cif file (in coot) that I downloaded from PDB, in > my Mac OS X. > Coot cannot open the map. Could you suggest how I can see the map that is > downloaded form the PDB-RCSB web site. > What does Coot print out on the co

Re: [COOT] how to do sphere refinement

2010-01-11 Thread Nathaniel Echols
2010/1/11 Sara Züger > Thanks Miguel, > > but is there another way to do this sphere refinement? I'm working on a > shared computer and have no administrator rights and also no experience > with > python/file handling of coot. > > Or else, if there is no other way, can somebody explain me exactly

Re: [COOT] Scripting missing in CCP4 distribution of COOT v0.6.0 CCP4 (OS X 10.4+ universal dmg installer)

2010-01-04 Thread Nathaniel Echols
On Mon, Jan 4, 2010 at 12:43 PM, Huw Jenkins wrote: > I guess this means something to do with the scheme scripting isn't getting > properly defined in the coot script but I can't work out what from > comparisons of the old and new coots. > The package distributed by CCP4 was not compiled with sup

[COOT] map coefficient labels

2009-12-18 Thread Nathaniel Echols
Is there a way to open map files from a script with the actual column labels alone, instead of /crystal/dataset/F, etc.? I tried /*/*/F, but this doesn't work in 0.6. One of my coworkers claims that MTZ files don't allow duplicate column names regardless of which crystal or dataset ID they're ass

Re: [COOT] Coot finding phenix.probe and not standalone probe

2009-08-17 Thread Nathaniel Echols
On Mon, Aug 17, 2009 at 9:50 AM, Ben Eisenbraun wrote: > > The Phenix GUI will modify this file (only if you launch Coot from it) to > > ensure that Coot can find Probe, which could be causing the problem - I > > didn't take into account the possibility of a home directory being shared > > across

Re: [COOT] Coot finding phenix.probe and not standalone probe

2009-08-17 Thread Nathaniel Echols
On Mon, Aug 17, 2009 at 8:32 AM, Ben Eisenbraun wrote: > I have a very odd issue. I have two builds of Coot, one for OS X Intel and > one for OS X PPC. On each of those platforms, I have a standalone > probe/reduce in the shell PATH. When I run either of these Coots, they > manage to find and t

Re: [COOT] problem with install on new Macbook Pro (OS X 10.5)

2009-06-05 Thread Nathaniel Echols
On Fri, Jun 5, 2009 at 9:54 AM, Jason Greenwald < jason.greenw...@phys.chem.ethz.ch> wrote: > In the meantime I am using the COOT.app package from the CCP4 download > site, so if anyone knows how to save more than one session using this > installation, I would be happy to hear it. > I couldn't fi

Re: [COOT] Colour by ramachandran?

2009-04-28 Thread Nathaniel Echols
On Tue, Apr 28, 2009 at 3:52 PM, Oliver Clarke wrote: > Is it possible in coot to script a way to colour residues by their position > on the ramachandran plot? This would be really handy, particularly for large > structures, in order to visually see where problem areas of the structure > are. I'm

Re: [COOT] automated update of PDB file

2009-04-27 Thread Nathaniel Echols
> > I'm looking for a script that automatically loads a PDB file when it has >> changed on disk in order to display the changes with a previous version of >> that file. >> > Here is a Python version. I prefer to overwrite the old molecule - but this will work either way. (I think - it is untested

[COOT] how do I delete all objects with a script?

2009-03-02 Thread Nathaniel Echols
Is this even possible? Either Python or Scheme would be okay. I figured out how to hide everything (in Python), but I'm trying to reload files via a button, and they always have the same name, so the display manager becomes confusing quickly. thanks, Nat

Re: [COOT] on the topic of secondary struct. assignments...

2009-02-08 Thread Nathaniel Echols
There is an open-source implementation of the dssp method called ksdssp, written by the UCSF group that distributes Chimera. I haven't had reason to use it yet but the source definitely has functions for writing out the pdb records. I suspect that one of the BioPython/perl/ etc. modules ha

Re: [COOT] python and coot question

2009-01-30 Thread Nathaniel Echols
This has been a problem on and off with recent OS X binary builds too. The interpreter is actually supposed to be coot itself - I don't think /sw/bin/python is going to do you any good, since it doesn't have access to the memory of the running coot process. I don't know what the source of the var

Re: [COOT] coot for 10.4 and 10.5 intel

2008-12-15 Thread Nathaniel Echols
Hey Bill, this has the correct and complete Python module search paths too (although /usr/local/xtal/coot/share/coot/python is repeated four times, but this doesn't appear to break anything). What's the difference between this and the coot-0.5-pre1 build you sent out on Thursday? thanks, Nat (sti

Re: [COOT] coot for 10.4 and 10.5 intel

2008-12-12 Thread Nathaniel Echols
On Thu, Dec 11, 2008 at 3:05 AM, William Scott wrote: > I need a couple of people to volunteer to test this on 10.4 and 10.5 intel > machines: > > http://sage.ucsc.edu/xtal/coot/coot-0.5-pre1-intel_10.4_10.5.tgz > This build appears to have python embedded more or less correctly, so it now uses t

Re: [COOT] Fedora 8 binary core dumps - please help

2008-10-20 Thread Nathaniel Echols
This may not be required any more, but I remember having to explicitly add the GLX module to the list of extensions to get NVidia cards to work. I'm not sure exactly what the syntax is, but I know the module is just called "glx", so maybe try putting 'Options "glx" "Enabled"' in the 'Extensions' s

Re: [COOT] ipod version of coot?

2008-07-28 Thread Nathaniel Echols
The problem with the iPhone is that the OpenGL library it uses is only a subset of the OpenGL used on real computers, so porting any existing molecular graphics application would be non-trivial, aside from the many other issues with developing for iPhone. I do like the idea of using the touch-scre