Modeller 4

["Dinesh Soares" <>]

Hi,

I am currently using Modeller 4 to try and model a protein of interest. I 
was able to model this protein "DAF_2" using a single template "MCP_1" while 
providing the alignment directly for modelling.

However, when I introduce a second template "VCP_1" in the direct alignment, 
I get the following message (several thousand lines of it!) before the 
program exits:

chkder___W> DVZ(i) out of bounds:    503   503nan
chkder___W> DVX(i) out of bounds:    504   504     0.7392E+14
chkder___W> DVY(i) out of bounds:    504   504    -0.5166E+13
chkder___W> DVZ(i) out of bounds:    504   504     0.3008E+14
chkder___W> DVX(i) out of bounds:    505   505nan
chkder___W> DVY(i) out of bounds:    505   505nan
chkder___W> DVZ(i) out of bounds:    505   505nan
chkder___W> DVX(i) out of bounds:    506   506nan
chkder___W> DVY(i) out of bounds:    506   506nan
chkder___W> DVZ(i) out of bounds:    506   506nan
chkder___W> DVX(i) out of bounds:    507   507nan
chkder___W> DVY(i) out of bounds:    507   507nan
chkder___W> DVZ(i) out of bounds:    507   507nan
getcells__E> internal error; nx,ny,nz,cell,icel,maxcell: 
************************   4.000********  208000


MY TOP FILE: model-double.top

INCLUDE                                #include modeller routines
SET ALNFILE = 'DAF_2-MCP_1-VCP_3.ali'  #alignment file
SET KNOWNS = 'MCP_1' 'VCP_3'           #known templates
SET SEQUENCE = 'DAF_2'                 #target sequence file
SET STARTING_MODEL = 1
SET ENDING_MODEL = 5                   #generate 5 models
CALL ROUTINE = 'model'                 #get models


MY ALIGNMENT FILE: DAF_2-MCP_1-VCP_3.ali

> P1;MCP_1
structureX:MCP_1:1:A:61:A::::
-CEEPP-TFEAMELIGKPKP-YYEIGERVDYKCKKGYFYIPPLATHTICDRNHTWLPVSDDACY*
> P1;VCP_3
structureX:VCP_3:128:A:183:A::::
KCQSPPSISNGRHNG-Y-ED-FYTDGSVVTYSCNSGYSLI-GNSGVL-CSGG-EWSDP--PTCQ*
> P1;DAF_2
sequence:DAF_2
SCEVPTRLNSASLKQPYITQNYFPVGTVVEYECRPGYRREPSLSPKLTCLQNLKWS-TAVEFCK*


Please advise!! If you require the PDB files, please let me know.

Thanks in advance,
Dinesh

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