-----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1 Dear Robert,
this is what I just did: 1) went to en.wikipedia.org and entered your ligands name Dibenzothiophene 2) copied the SMILES string provided for many small molecules in Wikipedia 3) went to http://http://grade.globalphasing.org and paste the SMILES string 4) downloaded the CIF-file Altogether it took longer to write this email than to get the cif-file, which is why I find the grade server so useful :-) Best regards, Tim On 05/02/2014 06:46 AM, Robert wrote: > Dear all, How can I get a cif configure for a new ligand. Right > now, I want to use the phenix to refine a complex structure. But I > found that I cannot get the ligand cif file from the CCP4 search. > The ligand is dibenzothiophene. So do you have any idea to help me. > Thanks very much for your help. Best wishes. > > > > > Robert. > - -- - -- Dr Tim Gruene Institut fuer anorganische Chemie Tammannstr. 4 D-37077 Goettingen GPG Key ID = A46BEE1A -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.12 (GNU/Linux) Comment: Using GnuPG with Icedove - http://www.enigmail.net/ iD8DBQFTY1QJUxlJ7aRr7hoRAhFgAJ48OpjUBTUDjkPo1rbg74CtXFjSIwCgg3Y9 Nvrx5xUF0yrCRZkTKrrKNgI= =JD49 -----END PGP SIGNATURE-----
