[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


~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Scott Classen, Ph.D.
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