Dear Andrej Thanks for your rapid response. Here's a gzipped tar of the relevant files... Daniel +-------------------------------------------------------------------------+ | Dr Daniel John Rigden | | CENARGEN/EMBRAPA | e-mail: | | Parque Estacao Biologica | http://www.cenargen.embrapa.br | | PqEB - Final - Av. W3 Norte | Phone: +55 (61)448-4741 | | 70770-900, Brasilia-D.F.-BRAZIL | Fax: +55 (61)340-3658 | +-------------------------------------------------------------------------+ On Wed, 23 Jan 2002, Andrej Sali wrote: > It should not be a problem. Would you please send me your input top, > alignment, and atom files. Thanks, Andrej > > -- > Andrej Sali, Associate Professor > The Rockefeller University, 1230 York Avenue, New York, NY 10021-6399 > tel +1 212 327 7550; lab +1 212 327 7206 ; fax +1 212 327 7540 > e-mail ; http://salilab.org > > -----Original Message----- > From: > [">mailto:] On Behalf Of Daniel > John Rigden > Sent: Wednesday, January 23, 2002 7:57 AM > To: Modeller Usage List > Subject: disulfides > > > Hi > > Is there a problem with automatic disulfides in Modeller 6? My recent > models are being produced without the disulfides present in the > templates and I don't remember this being a problem with earlier > versions. In the log file there is a call to the relevant patch routine > > TOP_________> 151 465 PATCH_SS_TEMPLATES > > but it doesn't seem to work. The template files have been processed so > that they have lost PDB headers but I assume MODELLER figures SS bonds > for itself rather than reading SSBOND lines in PDB headers... > > We can always define the disulfides manually with the general PATCH > command but, as the manual says, they'll be better defined by > PATCH_SS_TEMPLATES - generated restraints. > > Thanks for your help. > > Daniel > > +----------------------------------------------------------------------- > --+ > | Dr Daniel John Rigden > | > | CENARGEN/EMBRAPA | e-mail: > | > | Parque Estacao Biologica | http://www.cenargen.embrapa.br > | > | PqEB - Final - Av. W3 Norte | Phone: +55 (61)448-4741 > | > | 70770-900, Brasilia-D.F.-BRAZIL | Fax: +55 (61)340-3658 > | > +----------------------------------------------------------------------- > --+ > > > >
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