[Biojava-l] modify structure

Tamas Horvath hotafin at gmail.com
Thu Dec 1 07:26:30 EST 2005


Exactly... I want to keep a backbone and replace the whole sidechain asnecessary... I know this should be relatively easy, but I'm a bit lost intthe documentation...
On 12/1/05, Andreas Prlic <ap3 at sanger.ac.uk> wrote:>> Hi Tamas,>>   it is possible to access the content of a structure and> change/add/drop groups  and atoms as you wish.>>   When talking about introducing "point mutations" I assume you want to> re-label a residue's main chain>   atoms and drop the side chain atoms, but keep the Cb one? this would> take only a few lines to implement.>> Cheers,> Andreas>> On 30 Nov 2005, at 16:21, Tamas Horvath wrote:>> > Is there any way to modify a protein structure by modifying the> > contents ofthe Structure object?In short, I have a Structure object,> > parsed from a pdb file, and I want tointroduce point mutations to it,> > and save the modified structure to a pdbfile for further analysis...> > (I intend to use gromacs for instance if itmatters)...> > _______________________________________________> > Biojava-l mailing list  -  Biojava-l at biojava.org> > http://biojava.org/mailman/listinfo/biojava-l> >> >> ----------------------------------------------------------------------->> Andreas Prlic      Wellcome Trust Sanger Institute>                                Hinxton, Cambridge CB10 1SA, UK>                          +44 (0) 1223 49 6891>>


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