[modeller_usage] Atom Index is out of bounds:

[Amjad Farooq <>]

Dear Modeller users,

I am trying to model the structure of a 300-residue protein containing a
phospho-threonine (PTH). After writing the topology of PTH in
top_heavy.lib and specifying PTH in restype.lib under the modlib
subdirectory, I get this error upon running MODELLER:

csrrng__299E> Atom index is out of bounds:     2392     2391
recover____E> ERROR_STATUS >= STOP_ON_ERROR:        1       1

As you can see MODELLER does not complain about PTH but some general
error. Has anyone encountered something like this before? How can this
be fixed? Interestingly, when I substitute PTH with THR, MODELLER
generates no such error and models the structure nicely.

Any help will be greatly appreciated.

Many thanks,
Amjad 


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AMJAD FAROOQ PhD
Assistant Professor

Dept of Biochemistry & Molecular Biology
Miller School of Medicine
University of Miami
Gautier Building, Rm 214
1011 NW 15th Street
Miami, FL 33136

tel 305-243-2429
fax 305-243-3955

http://farooqlab.ws
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