Dear Lucas You may want to look at credo http://marid.bioc.cam.ac.uk/credo We (PDBe) are working on integrating this into both our website and API.
John PDBe -----Original Message----- From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Lucas Sent: 29 October 2018 13:53 To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] Parseable residue-ligand and/or residue-nucleic acid interaction database? Just so that we don't reinvent the wheel: is there any database or webservice on which one can parse the list of residue-ligand interactions for the entire PDB? I'd like to programmatically obtain information such as "in PDB 3hdl the Calcium 306 is in contact with Asp223 or in PDB 5gjb Arg388 is in contact with the phosphate in the nucleic acid chain B". I know this information is available through pdbsum via ligplot/nucplot, but I'm unaware if it is possible to download the entire interaction database and if it is parseable. ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
