[ccp4bb] Search by name on the PDB fails

2018-10-01 Thread Murpholino Peligro
Hi all. I was searching for ligands/molecules at 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. F

Re: [ccp4bb] Search by name on the PDB fails

2018-10-01 Thread Robbie Joosten
-- Forwarded message -- From: Robbie Joosten Date: 2 Oct 2018 07:45 Subject: Re: [ccp4bb] Search by name on the PDB fails To: Murpholino Peligro Cc: Ligand-Expo is the place to be. It has search by name, identifier, SMILES and (my favourite, chemical formula). You can get the

Re: [ccp4bb] Search by name on the PDB fails

2018-10-02 Thread Gert Vriend
The MRS server at the CMBI (http://mrs.cmbi.umcn.nl/) is very quick. It is not a dedicated ligand searcher, but it finds 23 files with tetraethylene glycol. It is just a Google-like text-search engine, but much smarter than grep; for example "tetraetylene glycol" suggests that you might want to

Re: [ccp4bb] Search by name on the PDB fails

2018-10-04 Thread John Berrisford
: 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 wi