Re: [PyMOL] Normalize ccp4 maps- problem

2012-09-25 Thread Pete Meyer
Hi Vasan,

Changing the sampling of the map would require re-calculating it on a 
different (coarser or finer) grid.  This would have only incidental 
effects on normalizing the map values.

Hope this helps,

Pete

Srinivasan Rengachari wrote:
 Dear Pymol Users,
 
 I am a basic level user of the Pymol. I am trying to make a 
 figure with my ligand showing electron density. In principle, the guide on 
 the pymol wiki works and i get to show the map. But I wanted to lower the 
 sampling of the mesh in the electron density and tried to unset normalizing 
 ccp4 maps before loading the map and the pdb. After this, the isomesh map, 
 mymap.map, 2.0, site, carve=1.6 updates the map but i dont see any electron 
 density mesh on the screen.
 
 
 I request your help regarding this problem. The pymol version 
 is 1.504.
 
 Many thanks in anticipation,
 Vasan
 
 
 
 
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[PyMOL] Adding hydrogens

2012-09-25 Thread Martin Hediger
Dear PyMOL list
I'm adding hydrogens to a crystal structure. Upon saving, however, I 
realize all hydrogens have been added to the beginning of the PDB file. 
Can PyMOL be configured such that the hydrogens are placed at the 
intuitively appropriate place in the PDB file?

Thanks for any hints.
Martin

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Re: [PyMOL] Adding hydrogens

2012-09-25 Thread Thomas Holder
Hi Martin,

do you have retain_order set to 1? This is not the default. Try:

unset retain_order
save file.pdb

Cheers,
   Thomas

Martin Hediger wrote, On 09/25/12 18:24:
 Dear PyMOL list
 I'm adding hydrogens to a crystal structure. Upon saving, however, I 
 realize all hydrogens have been added to the beginning of the PDB file. 
 Can PyMOL be configured such that the hydrogens are placed at the 
 intuitively appropriate place in the PDB file?
 
 Thanks for any hints.
 Martin

-- 
Thomas Holder
MPI for Developmental Biology
Spemannstr. 35
D-72076 Tübingen

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[PyMOL] visualising superpositions in pymol

2012-09-25 Thread alison cuff
Hi there

I am fairly new to pymol and am currently using it to visualise
superpositions of 2 protein structures. However, I have noticed that a lot
of structural detail is lost in regions where the structures are very
similar and - instead of seeing two proteins nicely superimposed - I get
fragments or some structural data missing altogether.

Is there a way to counteract this problem please?

All advice much appreciated!!!
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