An update: Now for NRG-CING, please see:
http://nmr.cmbi.ru.nl/NRG-CING Best, Alan On 3 April 2009 11:31, Alan <alanwil...@gmail.com> wrote: > We've recently announced iCing, which includes whatif as well. Please, > take a look at http://nmr.cmbi.ru.nl/cing/Home.html. > > If it happens that your complex is from NMR and deposit in PDB so you can > find it here (http://nmr.cmbi.ru.nl/NRG-CING/index/index.html) already > evaluated. > > Cheers, > Alan > > On Fri, Apr 3, 2009 at 11:00, <gmx-users-requ...@gromacs.org> wrote: > >> >> Chih-Ying Lin wrote: >> > >> > >> > >> > HI >> > The program WHATIF can perform a proper validation of the structure. >> > But, it is not free software. >> > >> > Can anyone tell me how to test the protein structure manually or by >> Gromacs? >> > >> > What is the criteria to determine the quality of the structure? >> >> That depends on your objective - but you have to define that. Ultimately >> some protein structure generated by a piece of software has to match in >> a relevant way the structure found in biological systems. What that >> means varies with what experimental information you have available. >> Various computational tools might assist in estimating that match. >> >> Mark >> >> > > -- > Alan Wilter S. da Silva, D.Sc. - CCPN Research Associate > Department of Biochemistry, University of Cambridge. > 80 Tennis Court Road, Cambridge CB2 1GA, UK. > >>http://www.bio.cam.ac.uk/~awd28<< > -- Alan Wilter SOUSA da SILVA, DSc Bioinformatician, UniProt - PANDA, EMBL-EBI CB10 1SD, Hinxton, Cambridge, UK +44 1223 49 4588
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