Hi,
I hope you do not mind I cc-ed modeller_usage here.
I am guessing you are using more than one template structure. If so, the problem probably arises because the input alignment aligns a distance in the target sequence with two or more distances in the template structures that are very different from each other. I suggest that you use the output of CHECK_ALIGNMENT to follow up on this suggestion and, if appropriate, edit the alignment of the structures with each other so that pairs of aligned residues in known structures do not span very different distances.
Best regards, Andrej
-- Andrej Sali, Professor Departments of Biopharmaceutical Sciences and Pharmaceutical Chemistry, and California Institute for Quantitative Biomedical Research Mission Bay Genentech Hall 600 16th Street, Suite N472D University of California, San Francisco San Francisco, CA 94143-2240 (CA 94107 for direct delivery by courier) Tel +1 (415) 514-4227; Fax +1 (415) 514-4231 Tel Assistant +1 (415)514-4228; Lab +1 (415) 514-4232, 4233, 4258 Email sali@salilab.org; Web http://salilab.org
> -----Original Message----- > From: Benjamin Tehan [mailto:Ben.Tehan@vcp.monash.edu.au] > Sent: Tuesday, May 20, 2003 1:19 AM > To: sali@salilab.org > Subject: error STDEV < 0: > > > Dear Professor Sali, > > I am having a problem in regards to > > Two basis restraints have means too far apart: > error STDEV < 0: > > I noted on the mailing list that someone else had encountered > this problem and you advised them to modify file > $MODINSTALL6v2/modlib/messages.lib > by adding @S1 to the end of > M 644 3 1 > etc... > > I have not been able to find a response to this this problem > and thus have attached the log file that I recieved as output. > > I would appreciate any advice that you are able to give me in > regards to this matter. > > yours sincerely, > Ben Tehan. > > PhD student > Monash University > Australia. >
Dear Professor Sali,
I want to mutate a known protein (structure is known) by MODELLER. For example , mutating F(119) to ALA, I can get the mutated structure by classical comparative protein modelling step. But it costs time. I want to achieve this as fast as possible. Could you help me ?
Shiyong
participants (2)
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Andrej Sali
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Liu Shiyong