Re: [COOT] pymol does not cartoon-ize my helices : coot helical restraints

2009-02-07 Thread Chavas Leo

Dear Hari --

Not being an expert, I can't answer for you... but it might be a good  
idea to post at:

pymol-us...@lists.sourceforge.net

Good luck.

-- Leo --

On 6 Feb 2009, at 17:50, hari jayaram wrote:

I have a low-ish resolution (3.5 ) map for a membrane protein. I  
have been using helical restraints heavily in pymol to do the model  
building (versions 0.4.2 to 0.5.1 to 0.6 pre release ) . The  
structure is very homologous to something else and these are really  
long membrane spanning helices. So a large part of the structure   
should be helical and thats my justification for using the  
restraints in coot.


I have mostly refined in refmac ( newest 5.3 ) and some in phenix.  
Both of these pick the refining  restraints automagically.


My problem is that my helices look perfect in coot , with the  
torsions and h-bonding looking pretty good .All the traffic lights  
( with and without torsional and ramchandran and helical  
restraints) are green. But pymol simply refuses to cartoonize my  
helices as helix.


I know I can force the pymol cartoon algorithm to treat those  
regions as helix but am concerned that something is not correct in  
the way I built my model.


Any clues on forcing my helices to conform to what pymols idea of a  
helix is. The pymol version is also 1.0r2 and does cartoonize  
everything else  as expected.


Hari Jayaram





Chavas Leonard, Ph.D. @ home
Research Associate
Marie Curie Actions Fellow

Faculty of Life Sciences
The University of Manchester
The Michael Smith Building
Oxford Road
Manchester Lancashire
M13 9PT

Tel: +44(0)161-275-1586
e-mail: leonard.cha...@manchester.ac.uk
http://personalpages.manchester.ac.uk/staff/leonard.chavas/




Re: [COOT] where did add alt conf go?

2008-07-27 Thread Chavas Leo

Dear Paul --

On 26 Jul 2008, at 14:57, Paul Emsley wrote:
I recently discovered that on a laptop with 100dpi fonts and a 800- 
pixel height resolution (not uncommon), then the tool-bar is so  
long that the GNOME panel obscures the status bar. Not good. I  
suppose that the Right Thing is to make it runtime configurable.


Just a quick thought (I'm sure you're only considering this, but  
well...): what about adding an option just like your Tips window?  
What I have in mind is to add a pop-up window when you click on the  
Model/Fit/Refine button that will ask you which option you'd like to  
have in your refinement bar. You might put the all list of functions,  
with pre-selected buttons for the most common ones. The user will  
then have the possibility to choose what (s)he want according to the  
most used functions /or the size of the screen.


Sorry for the post if you already implemented it or already planed to  
do it. Just a thought.


Kind regards.

-- Leo --

Chavas Leonard, Ph.D. @ home
Research Associate

Faculty of Life Sciences
The University of Manchester
The Michael Smith Building
Oxford Road
Manchester Lancashire
M13 9PT

Tel: +44(0)161-275-1586
e-mail: [EMAIL PROTECTED]
http://personalpages.manchester.ac.uk/staff/leonard.chavas/