You could simply hand-edit the PDB file to remove the offending ligand.
Regards, Tony. Hi, all I want to write a specific chain structures(protein). I tried PDBSET and biopython but they couldn't deal with some exceptional case. For example, some pdb files contain both protein structure and ligand structure in a given chain ID(e.g. 'A' or ' ') How can I obtain full chain structures without ligand structure by other methods than clicking one by one at any website. Thanks in advance. Best, Hyunchul Kim -- Dr Antony W Oliver CR-UK DNA Repair Enzymes Group Section of Structural Biology The Institute of Cancer Research 237 Fulham Road Chelsea London SW3 6JB Phone: 020 7153 5451 / 5571Fax: 020 7153 5457 E-mail: [EMAIL PROTECTED]
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