Re: [PyMOL] Font problem

2014-01-21 Thread Justin Lecher
On 22/11/13 17:44, Jason Vertrees wrote:
 Hi Justin,
 
 We'll fix that, too.
 
 Cheers,
 
 -- Jason
 
 

Hi Jason,

did you find time to look into that?

Thanks
justin

-- 
Justin Lecher
Institute of Complex Systems
ICS-6 Structural Biochemistry
Research Centre Juelich
52425 Juelich, Germany
phone: +49 2461 61 2117




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Re: [PyMOL] PyMOL v1.7 Released

2014-01-21 Thread Matthias Haffke
Nice to see how PyMOL advances over time - great job! 
Quite some time ago I posted to the list asking if it would be possible to 
limit a volume (mesh, etc.) generated from a  .mtz file around a selection 
(residues, atoms, etc.). As far as I remember it was not possible and I had to 
go the old way be generating a .map.ccp4 via FFT (in the CCP4 package) to use 
isomesh to do the job.
Are there any updates/plans on this feature?
And I was wondering if there will be a AxPyMOL version for Mac OS X coming at 
some point as well?

Best,
Matthias


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Re: [PyMOL] Pymol, number and label the helices

2014-01-21 Thread Gefei Chen
Hi guys,
Thank you very much for the helps, and the Label command and the pseudoatom are 
very powerful, now I can add labels what I want :)
Cheers,
Gefei 

On 21 Jan 2014, at 03:37, Jason Vertrees jason.vertr...@schrodinger.com wrote:

 Gefei,
 
 Please read about labels (http://www.pymolwiki.org/index.php/Label; and 
 http://www.pymolwiki.org/index.php/Category:Labeling) and pseudoatoms 
 (http://www.pymolwiki.org/index.php/Pseudoatom). These should help you label 
 what you need to.
 
 Cheers,
 
 -- Jason
 
 
 On Mon, Jan 20, 2014 at 9:57 AM, Gefei Chen cgf-2...@hotmail.com wrote:
 
 Hi guys,
 I am now preparing some proteins structure figures, and I think Pymol is a 
 good program. But now something happened to me, my protein just has  5 
 helices, and I want to number and label the helices as H1, H2 …and H5 in the 
 figure with using Pymol directly (not photoshop), but I am sorry I have no 
 idea for finishing it, however I have read the guide of Pymol.
 could anyone tell me something about how to number and label the helices? 
 That will be very helpful, and thank you very much!
 Cheers,
 Gefei
 
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 -- 
 Jason Vertrees, PhD
 Director of Core Modeling Products
 Schrödinger, Inc.
 
 (e) jason.vertr...@schrodinger.com
 (o) +1 (603) 374-7120

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Re: [PyMOL] Font problem

2014-01-21 Thread Jason Vertrees
Justin,

Yes, we put quite a bit of effort into improving the font rendering. It's
still not perfect, but should be improved over the pre-release versions.
Please let me know where you still have issues. (Just send me a PSE file as
an example.)

Cheers,

-- Jason


On Tue, Jan 21, 2014 at 5:27 AM, Justin Lecher j.lec...@fz-juelich.dewrote:

 On 22/11/13 17:44, Jason Vertrees wrote:
  Hi Justin,
 
  We'll fix that, too.
 
  Cheers,
 
  -- Jason
 
 

 Hi Jason,

 did you find time to look into that?

 Thanks
 justin

 --
 Justin Lecher
 Institute of Complex Systems
 ICS-6 Structural Biochemistry
 Research Centre Juelich
 52425 Juelich, Germany
 phone: +49 2461 61 2117





-- 
Jason Vertrees, PhD
Director of Core Modeling Products
Schrödinger, Inc.

(e) jason.vertr...@schrodinger.com
(o) +1 (603) 374-7120
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Re: [PyMOL] PyMOL v1.7 Released

2014-01-21 Thread Thomas Holder
Hi Matthias,

yes that's all possible! Volumes can be carved around selections, no matter 
where the map comes from (mtz, map.ccp4, ...). In Incentive PyMOL 1.7, you can 
load mtz maps with the load or load_mtz commands, so just do:

PyMOL load some.pdb
PyMOL load some.mtz
PyMOL volume abc, some.2fofc, 0, organic, 4., 1, 4.

This will create a volume abc carved around an organic ligand at a 4 Angstrom 
radius. Use the volume panel to adjust colors and transparency (volume 
scripting is coming in PyMOL 1.8).

Map symmetry expansion is done based on the symmetry information of the 
molecule, or (new in 1.7) the map. PyMOL 1.7 reads the space group from mtz and 
ccp4 maps. Not all map formats have space group information, if it's missing, 
use set_symmetry or symmetry_copy.

MTZ loading uses a proprietary Schrödinger library, so it will not make it into 
the open-source version. But all the volume stuff is in open-source.

Unfortunately for AxPyMOL, it uses ActiveX technology, which to our knowledge 
is not available on OSX. If you know otherwise, we'd be happy to find a 
solution.

Cheers,
  Thomas

On 21 Jan 2014, at 06:53, Matthias Haffke matze_haf...@hotmail.com wrote:

 Nice to see how PyMOL advances over time - great job! 
 
 Quite some time ago I posted to the list asking if it would be possible to 
 limit a volume (mesh, etc.) generated from a  .mtz file around a selection 
 (residues, atoms, etc.). As far as I remember it was not possible and I had 
 to go the old way be generating a .map.ccp4 via FFT (in the CCP4 package) 
 to use isomesh to do the job.
 
 Are there any updates/plans on this feature?
 
 And I was wondering if there will be a AxPyMOL version for Mac OS X coming at 
 some point as well?
 
 Best,
 
 Matthias


-- 
Thomas Holder
PyMOL Developer
Schrödinger, Inc.


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