Hi James,

the selection makes the flexibility:

# Example: non-polar residue carbons
remove hydro
h_add (resn ILE+LEU+VAL+MET) and (elem C)

# Example: polar but not backbone
remove hydro
h_add (acceptors or donors) and not (name N+O)

Also bond order and formal_charge determine where to add a hydrogen.

Cheers,
   Thomas

On 01/23/2012 02:50 PM, James Starlight wrote:
> Dear PyMol users!
>
> I have one extra question about addition of the missing Hydrogen atoms
> to my structure.
>
> I've found that I could do it via context Hydrogen command as well as
> via H_add command.
>
> Now I want to add only specific hydrogens to the specific residues of my
> proteins ( e.g only alymphatic hydrogens to the non polar residues etc)
>
> Might It be done in PyMOL?
>
> Here http://www.pymolwiki.org/index.php/H_Add I've found only very chort
> description of the H_add command but I know that this one has some
> flexibility.
>
> Thanks,
>
> James

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

------------------------------------------------------------------------------
Try before you buy = See our experts in action!
The most comprehensive online learning library for Microsoft developers
is just $99.99! Visual Studio, SharePoint, SQL - plus HTML5, CSS3, MVC3,
Metro Style Apps, more. Free future releases when you subscribe now!
http://p.sf.net/sfu/learndevnow-dev2
_______________________________________________
PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net)
Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users
Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net

Reply via email to