Dear Murpholino
You can try the PDBe chem search http://pdbe.org/chem then use the second option on the form. You can change “=” to “like” to search for partial names. Regards John From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Murpholino Peligro Sent: 02 October 2018 06:18 To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] Search by name on the PDB fails Hi all. I was searching for ligands/molecules at www.rcsb.org/pdb/ligand/chemAdvSearch.do <http://www.rcsb.org/pdb/ligand/chemAdvSearch.do> (middle tab in blue). If I try to search with the third option, i.e. "name" of the ligand/molecule, it never works. I tried tetraethylene glycol, nitric oxide, cisplatin and even the example provided biotin. Fortunately specifying the identifier (i.e. 3 letters..2 in some cases)... works. The problem is...what if I do not know the identifier? I was wondering if you know another database that might work better for me? (or you, if your brain works better with chemical names instead of identifiers) Ps If there is some sort of coordinate file, preferably pdb or xyz, to download that will be better. * Pubchem works with sdf files which I do not like because if I open the sdf file for biotin with pymol and then save it as pdb, and then open this on coot it looks strange... (png attached) (not sure if this is pymol's or coot's fault...but that's another thread I guess) Thanks _____ To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB <https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1> &A=1 ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
