Re: predicting atoms from backbone
Andreas Prlic <[email protected]>
| Newsgroups | gmane.comp.java.bio.general |
|---|---|
| Message-ID | <[email protected]> |
Hi Jay, I guess you want to do something like that: http://peds.oxfordjournals.org/content/5/2/147.abstract Although all the tools for such calculations are available in BioJava, there is currently no simple method call that allows to calculate such a mainchain-model. Before doing any coding, probably best to check out other software like COOT, if it can do that... Andreas On Sun, Dec 12, 2010 at 2:42 PM, Jay Vyas <[email protected]> wrote: > Hi guys : > > Im trying to add C, O , and N atoms to a protein structure, when I only have > a backbone trace.. > That is, I have a series of CA atoms in a backbone of a protein structure, > and I want to generate other atom coordinates. > > I know biojava can add hydrogents... Anybody have any ideas about how to add > and predict other atoms? > > -- > Jay Vyas > MMSB/UCHC > _______________________________________________ > Biojava-l mailing list - [email protected] > http://lists.open-bio.org/mailman/listinfo/biojava-l > -- ----------------------------------------------------------------------- Dr. Andreas Prlic Senior Scientist, RCSB PDB Protein Data Bank University of California, San Diego (+1) 858.246.0526 ----------------------------------------------------------------------- _______________________________________________ Biojava-l mailing list - [email protected] http://lists.open-bio.org/mailman/listinfo/biojava-l