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Hi, I am trying to build the ligand into my model using the module ARP/wARP ligand building. When I gave the pdb file of the ligand (the pdb file of the ligand is generated by chemdraw software) and the other required input in the GUI of automated ligand building, I get the following error message. What does this mean? We are using CCP4 5.0.1 version and ARP/wARP 6.1 version. This is the error message: WARNING: "CRYST1" card is absent in input PDB file Default: 100,100,100,90,90,90 WARNING: "SCALE" card is absent in input PDB file Number of atoms : 45 Number of residues : 1 Number of chains : 1 ===> Warning: Inpit coordinate file does not have CRYST card ===> Warning: Idealisation will work but vdw repulsions will not be correct Open failed: Unit: 7, File: /tmp/mnalam/refmac5_temp1.05109_new.crd (logical: /tmp/mnalam/refmac5_temp1.05109_new.crd) Refmac_5.2.0005: Open failed: File: /tmp/mnalam/refmac5_temp1.05109_new.crd I was suggested to add the header to the pdb file of the ligand. That will solve a part of the problem but I am unable to understand the error message of Refmac. Any suggestions/help would be greatly appreciated Thanks in advance Madhavi
