Dear fellow MODELLERs
I have found that the problem mentioned by Tom Lee about modelling loops only occurs for the MSI version of MODELLER and not the academic version. I get around the problem by putting the following in the TOP file.:
INCLUDE DEFINE_STRING VARIABLES = LOOP_CSRFILE LOOP_INI_MODEL SET SEQUENCE = 'aaa' SET MODEL = 'aaa.pdb' # initial model of the target : :
The define_string... line is the only line to be added. I can't remember how I trouble-shot the problem as I fixed it a month ago.
I believe this will fix Dr Lee's problem.
Regards Rob
-- ----------------------------------------------------- Robert Jorissen
Ludwig Institute for Cancer Research P.O. BOX 2008, Royal Melbourne Hospital Parkville, Victoria 3050, Australia
phone: ++61-3-9341-3155 fax: ++61-3-9341-1938
e-mail: Robert.Jorissen@ludwig.edu.au -----------------------------------------------------
Hi Rob,
I took your suggestion and it worked! Thank you very much. Apparently there are some bugs in that commercial software.
Tom
On Fri, 31 Jul 1998, Robert Jorissen wrote:
> Dear fellow MODELLERs > > I have found that the problem mentioned by Tom Lee about modelling > loops only occurs for > the MSI version of MODELLER and not the academic version. I get around > the problem by > putting the following in the TOP file.: > > INCLUDE > DEFINE_STRING VARIABLES = LOOP_CSRFILE LOOP_INI_MODEL > SET SEQUENCE = 'aaa' > SET MODEL = 'aaa.pdb' # initial model of the target > : > : > > > The define_string... line is the only line to be added. > I can't remember how I trouble-shot the problem as I fixed it a month > ago. > > I believe this will fix Dr Lee's problem. > > Regards > Rob > > -- > ----------------------------------------------------- > Robert Jorissen > > Ludwig Institute for Cancer Research > P.O. BOX 2008, Royal Melbourne Hospital > Parkville, Victoria 3050, Australia > > phone: ++61-3-9341-3155 > fax: ++61-3-9341-1938 > > e-mail: Robert.Jorissen@ludwig.edu.au > ----------------------------------------------------- > > >
participants (2)
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Robert Jorissen
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Tom Lee