Re: [ccp4bb] fragment searching

2012-11-01 Thread Gerard DVD Kleywegt
This sounds like a job for SPASM. We used it to find instances of left-handed helices in the PDB. See: - SPASM: http://www.ncbi.nlm.nih.gov/pubmed/9917419 - Left-handed helices: http://www.ncbi.nlm.nih.gov/pubmed/15740737 The database for SPASM hasn't been updated for a few years, but it may

[ccp4bb] fragment searching

2012-10-31 Thread rui
Does anyone know a good way to search for a fragment matches(~16 residue long helix or loop) from pdb?I have a fragment of pdb and want to pull out all the similar structures from the pdb, any easy way to do that? Thanks a lot. On Tue, Oct 30, 2012 at 9:34 AM, David Briggs

Re: [ccp4bb] fragment searching

2012-10-31 Thread eugene . krissinel
CCP4's gesamt should help you here. It can search a collection of PDB/mmCIF files for a structural match, any mainchain fragment with C-alphas would do. For searching through an archive, you need to use it off-line, from a terminal window. Run $CCP4/bin/gesamt without parameters, it will print