[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

RE: error STDEV < 0:



This error message is usually encountered when two residues in the target
sequence are aligned with two or more template distances that are very
different, so that the corresponding combined restraint cannot be reproduced
accurately by a cubic spline. Almost invariably, this error occurs when
there is an error in the alignment (ie, one template 'says' a particular
target distance should be close to 10A and the other template says it should
be 20A). But in your case, it seems something else may be wrong, because
stdev is less than 0. Would you please modify file
$MODINSTALL6v2/modlib/messages.lib from 

M 644  3 1
Two basis restraints have means too far apart:
ICSR  MEAN1   MEAN2   STDEV1  STDEV2  R.VIOL1 R.VIOL2 NEW_SD1 NEW_SD2

To (add @S1 in the fourth line, and keep a blank line after the @S1):

M 644  3 1
Two basis restraints have means too far apart:
ICSR  MEAN1   MEAN2   STDEV1  STDEV2  R.VIOL1 R.VIOL2 NEW_SD1 NEW_SD2
@S1

And email me the log file output.


I know the message should be more informative and it should print what the
violating distance is, and some day we will get there ;-)

I hope this helps.

Best, 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, 4239
Email ; Web http://salilab.org


> -----Original Message-----
> From:  
> [">mailto:] On Behalf Of Guittet, Muriel
> Sent: Friday, March 21, 2003 12:32 PM
> To: 
> Subject: error STDEV < 0:
> 
> 
> Dear Modellers,
>  
> I saw that someone already encoutered that error in the 
> modeller digest .. but unfortunately there was no answer (or 
> just to use the "output='long'" command what I did without 
> any answer) I try to model a protein structure, using 4 
> different templates with about 30% of sequence identity with 
> the target.
>  
> Modeller always send me the same error message:
> r_dista_644W> Two basis restraints have means too far apart:
> 
> ICSR MEAN1 MEAN2 STDEV1 STDEV2 R.VIOL1 R.VIOL2 NEW_SD1 NEW_SD2
> 
> stdevs__397E> STDEV < 0: -0.1509
> 
> Set to 1E-5.
> 
> recover____E> ERROR_STATUS >= STOP_ON_ERROR: 1 1
> 
>  
> 
> Could someone explain me the meaning of this and how to fix it?
> 
> thanks a lot for your help.
> 
> Muriel
> 
>