Subject: [modeller_usage] not generating pdb files
From:
Date: Thu, 16 Jun 2005 18:56:25 -0400
Hi,
I'm running modeller 8v0, and am trying to model 2 different proteins on the
same template. For some reason, for one of the alignments (#1), the only output
being produced is the .D* and .V* files - the models aren't being generated (and
the D* and V* files are being produced quite quickly).
For alignment #2, I'm getting the models out so that isn't a problem.
Any help would be appreciated...the same commands are being used for both
alignments, which i've shown below..
Gerald
------------
script command:
def my_model(_alnfile, _knowns, _sequence):
log.verbose() #request verbose output
env = environ() #create a new MODELLER environment to build model
env.io.atom_files_directory = './:../pdb/'
a = automodel (env, alnfile = _alnfile, knowns = _knowns, sequence =
_sequence)
a.starting_model = 1
a.ending_model = 50
a.final_malign3d = True
a.md_level = refine.slow
a.make()
-----------
alignment #1:
>P1;1PVM
structureX:1PVM:FIRST:A:LAST :B:.:.: 0.00: 0.00
KIMNSNFKTVNWN-TTVFDAVKIMNENH----LYGLVVK--D---DNGN----DVGLLSE
RSIIKRFIPRNKKPDEV-------------------------------------------
------------------------------------------------------------
-----------------------------------PIRLVMRKPIPKVKSDYDVKDVAAY
LSENGLERCAVVDDPGRVVGIVTLTDLSRYLS/
KIMNSNFKTVNWN-TTVFDAVKIMNENH----LYGLVVK--D---DNGN----DVGLLSE
RSIIKRFIPRNKKPDEV-------------------------------------------
------------------------------------------------------------
-----------------------------------PIRLVMRKPIPKVKSDYDVKDVAAY
LSENGLERCAVVDDPGRVVGIVTLTDLSRYLS
*
>P1;a1
sequence:: : : : :::-1.00:-1.00
DIMVRDVPHVALS-CTFRDLRLALHRTK--GRMLALVES--P---ESMI----LLGSIER
SQVVALLGAQLSPARRRQHMQERRATQTSPLSDQEGPPSPEASVCFQVNTEDSAFPAARG
ETHKPLKPALKRGPSVTRNLGESPTGSAESAGIALRSLFCGSPPPEAASEKLESCEKRKL
KRVRISLASDADLEGEMSPEEILEWEEQQLDEPVNFSDCKIDPAPFQLVERTSLHKTHTI
FSLLGVDHAYVT-SIGRLIGIVTLKELRKAIE/
DIMVRDVPHVALS-CTFRDLRLALHRTK--GRMLALVES--P---ESMI----LLGSIER
SQVVALLGAQLSPARRRQHMQERRATQTSPLSDQEGPPSPEASVCFQVNTEDSAFPAARG
ETHKPLKPALKRGPSVTRNLGESPTGSAESAGIALRSLFCGSPPPEAASEKLESCEKRKL
KRVRISLASDADLEGEMSPEEILEWEEQQLDEPVNFSDCKIDPAPFQLVERTSLHKTHTI
FSLLGVDHAYVT-SIGRLIGIVTLKELRKAIE
*
------------------------------
Alignment #2:
>P1;1PVM
structureX:1PVM:FIRST:A:LAST :B:.:.: 0.00: 0.00
KIMNSNFKTVNWN-TTVFDAVKIMNENH----LYGLVVK--D---DNGN----DVGLLSE
RSIIKRFIPRNKKPDEV-------------------------------------------
------------------------------------------------------------
-----------------------------------PIRLVMRKPIPKVKSDYDVKDVAAY
LSENGLERCAVVDDPGRVVGIVTLTDLSRYLS/
KIMNSNFKTVNWN-TTVFDAVKIMNENH----LYGLVVK--D---DNGN----DVGLLSE
RSIIKRFIPRNKKPDEV-------------------------------------------
------------------------------------------------------------
-----------------------------------PIRLVMRKPIPKVKSDYDVKDVAAY
LSENGLERCAVVDDPGRVVGIVTLTDLSRYLS
*
>P1;a2
sequence:: : : : :::-1.00:-1.00
RRNDPLLTVLTQDSMTVEDVETIISETT--YSGFPVVVS--R---ESQR----LVGFVLR
RDLIISIENARKKQDGVV------------------------------------------
------------------------------------------------------------
-------------STSIIYFTEHSPPLPPYTPPTLKLRNILDLSPFTVTDLTPMEIVVDI
FRKLGLRQCLVT-HNGRLLGIITKKDVLKHIA/
RRNDPLLTVLTQDSMTVEDVETIISETT--YSGFPVVVS--R---ESQR----LVGFVLR
RDLIISIENARKKQDGVV------------------------------------------
------------------------------------------------------------
-------------STSIIYFTEHSPPLPPYTPPTLKLRNILDLSPFTVTDLTPMEIVVDI
FRKLGLRQCLVT-HNGRLLGIITKKDVLKHIA
*