[gmx-users] Regarding error.

[Erik Marklund]

I use MacroMolecular Builder for all sorts of things, including filling in missing atoms.

Erik

6 jun 2012 kl. 08.59 skrev Javier Cerezo:

> There is no GROMACS tool that repairs incomplete structures, but you can find other programs that can do it. Some of them have been previously posted in this list (try a search on it). Personally I've used Swiss PDB viewer, which is useful to add missing atoms.
> 
> Javier
> 
> El 06/06/12 07:42, Seera Suryanarayana escribió:
>> 
>> Dear all gromacs users,
>> 
>>                                   I have 1VZV.pdb file, in that file HIS231 has incomplete ring as N atom is missing.Can i add N atom to the .pdb file if possible how can i add that atom to .pdb file.
>> 
>> Suryanarayana Seera,
>> PhD student,
>> India.
>> 
>> 
> 
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-----------------------------------------------
Erik Marklund, PhD
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,    75124 Uppsala, Sweden
phone:    +46 18 471 6688        fax: +46 18 511 755
erikm at xray.bmc.uu.se
http://www2.icm.uu.se/molbio/elflab/index.html

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