[phenixbb] Will phenix.refine read CNS *.cv files?
Scott Classen
sclassen at lbl.gov
Wed Jan 14 17:05:52 PST 2009
Hi all,
I'm embarking on a collaboration with someone who is providing me with
CNS cross validated data files. They look something like this.
NREFlection= 92086
ANOMalous=FALSe { equiv. to HERMitian=TRUE}
DECLare NAME=FOBS DOMAin=RECIprocal TYPE=REAL END
DECLare NAME=SIGMA DOMAin=RECIprocal TYPE=REAL END
DECLare NAME=IOBS DOMAin=RECIprocal TYPE=REAL END
DECLare NAME=SIGI DOMAin=RECIprocal TYPE=REAL END
DECLare NAME=TEST DOMAin=RECIprocal TYPE=INTE END
INDE 3 0 0 FOBS= 100.142 SIGMA= 1.478 IOBS= 10028.400
SIGI= 293.800 TEST= 0
INDE 4 0 0 FOBS= 158.996 SIGMA= 2.329 IOBS= 25279.600
SIGI= 735.200 TEST= 0
INDE 5 0 0 FOBS= 492.449 SIGMA= 17.677 IOBS=
0.242506E+06
SIGI= 17098.000 TEST= 0
INDE 7 0 0 FOBS= 246.492 SIGMA= 3.127 IOBS= 60758.400
SIGI= 1531.800 TEST= 0
INDE 8 0 0 FOBS= 32.790 SIGMA= 0.549 IOBS= 1075.200
SIGI= 35.700 TEST= 1
INDE 9 0 0 FOBS= 426.866 SIGMA= 8.886 IOBS=
0.182215E+06
SIGI= 7507.000 TEST= 0
INDE 10 0 0 FOBS= 411.347 SIGMA= 8.597 IOBS=
0.169206E+06
SIGI= 6999.000 TEST= 0
INDE 11 0 0 FOBS= 87.275 SIGMA= 1.346 IOBS= 7617.000
SIGI= 233.200 TEST= 0
When I try to run phenix.refine --dry_run my_model.pdb my_CNS_cv_file.cv
I get the following error:
Processing inputs. This may take a minute or two.
Sorry: Unknown file format: my_CNS_cv_file.cv
Any ideas?
Thanks,
Scott
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Scott Classen, Ph.D.
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