[ccp4bb] Please unsubscribe me from CCP4 mailing list

Irena Bonin Structural Biology Head ibo...@crystax.com Crystax Pharmaceuticals S.L. * Parc Cientific de Barcelona Baldiri Reixac 10-12 08028 Barcelona Telefono: 93 515 13 13 Fax: 93 377 40 28 www.crystax.com AVISO IMPORTANT

Re: [ccp4bb] restraints for cis-bonds, ACD cif file

Nathaniel The atom names in the file I sent have the correct atom names as defined by the PDB for ACD. Naturally, the atom names in your PDB file and the restraints CIF file should match and given that you need the correct names to deposit your structure into the PDB, then I would recommend doing

Re: [ccp4bb] restraints for cis-bonds, ACD cif file

I appreciate the input Paul and Nigel. The cif dictionary file you sent me doesn't have matching restraint definitions for 53 atoms in the ACD file. I opened the cif file you sent and extracted the SMILES code for ACD. Then I ran it in phenix.elbow to have it generate a pdb of the ACD. Then i wo

[ccp4bb] Postdoc position at SLS

Postdoctoral Fellow Your task You are responsible for the development of an extension of the fast global electron beam orbit feedback system, with the aim to stabilize the X-ray beam in position and angle at the position of the sample over a wide frequency range. To this end you will charac

Re: [ccp4bb] hydrohyapatite column

Hydroxyapatite can be miraculous, but is often very capricious: among others, it is temperature sensitive and two different corners of a somewhat inhomogeneous cold room may provide different results. Daniel Le 29/11/2010 16:08, Sebastiano Pasqualato a écrit : Hi all, I read/heard that hydrox

Re: [ccp4bb] Problems with auto-indexing

please please please attachments are bad enough, but so far at least we had small ones. now we have a new record, 2.5 MB! There are a gadzillion sites in the web to put your image and give us a link to it. As an additional remark, I would had been tempted to ask the assistant professor in m