SHELXL pdb formats is not the official PDB one in some aspects. I usually try pdbset xyzin shelx.pdb xyzout shelx2.pdb
This does some modifications, but you may well still have to edit bits by hand.
Can you send part of your problem file to me - I could use it to test the program and maybe make it more effective.
Eleanor [EMAIL PROTECTED] wrote:
*** For details on how to be removed from this list visit the *** *** CCP4 home page http://www.ccp4.ac.uk *** Hi, Is a pdb file output from shelxl with alternate conformations for some of the residues readable in CCP4? The error at the end of the log file when I use the coordconv from shelx to pdb is The program run with command: coordconv XYZIN /home/artis/h2ase/FE_C_ref/ideal_hc/cnc_vs_ccc/center_O/ce_o_ono.pdb XYZOUT /home/artis/h2ase/FE_C_ref/ideal_hc/cnc_vs_ccc/center_O/ce_o2_ccp4.pdb has failed with error message fmt: read unexpected character apparent state: internal I/O last format: (A4,I3,3F8.4,F10.6,F6.2) lately reading sequential formatted internal IO Thanks for any help. Arti Pandey Montana State University
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