Hi
Thanks for your quick response. a) I have used CNS script cns_to_o.inp and then used the CCP4 COORDCONV utility with convert file in PDB to PDB option and input the unit cell information. (have tried Xplor to PDB option earlier, it failed with input error). b) Then I run refmac with the input PDB file(from COORDCONV) and mtz file. and got the following error message. *************************************************************************** * Information from CCP4Interface script *************************************************************************** The program run with command: /usr/local/ccp4-6.1.1/bin/refmac5 XYZIN "/Network/Servers/genuinerisk.bmb.psu.edu/Users/manoj/Documents/crystallography/dRc c1t2/CCP4/cns_opdb.pdb" XYZOUT "/tmp/manoj/Project1_131_2_pdb_1.tmp" HKLIN "/Network/Servers/genuinerisk.bmb.psu.edu/Users/manoj/Documents/crystallography/dRc c1t2/dRcc1t2_ct488a1/rdmct488a1_p212121_b.mtz" HKLOUT "/tmp/manoj/Project1_131_3_mtz_1.tmp" LIBOUT "/Network/Servers/genuinerisk.bmb.psu.edu/Users/manoj/Documents/crystallography/dRc c1t2/CCP4/Project1_131_lib.cif" has failed with error message Refmac_5.5.0072: Fatal error. Cannot continue *************************************************************************** #CCP4I TERMINATION STATUS 0 Refmac_5.5.0072: Fatal error. Cannot continue #CCP4I TERMINATION TIME 01 Sep 2009 11:17:49 #CCP4I MESSAGE Task failed My guess is that the file conversion to PDB have not worked. I will appreciate any help to understand what going on and how do I resolve this . Thanks Penn State university Biochemistry State College PA Manoj On Tue, 01 Sep 2009 20:29:44 +0530 wrote > The CNS script cns_to_o.inp will convert CNS .mtf files to .pdb files. You can edit the CNS form using the CNS web interface and then run the script from the command line. Alternatively, I think the CCP4 program COORDCONV will convert XPLOR/CNS files to PDB format (I haven't done this, however.) Manoj Saxena wrote: Hi all, How to convert CNS coordinate file to PDB file format that can be used for refinement in refmac. Is there any utility in CCP4 or other GUI based interface that can convert CNS output file to PDB . Thanks . Manoj Penn Sate University Biochemistry State College PA -- Roger S. Rowlett Professor Department of Chemistry Colgate University 13 Oak Drive Hamilton, NY 13346 tel: (315)-228-7245 ofc: (315)-228-7395 fax: (315)-228-7935 email: rrowl...@colgate.edu