Hello all, I'm pretty sure this has been done before, so before re-inventing the wheel or failing miserably and doing everything by hand, I thought I'd ask here first :) I have a protein that has been crystallized with about a dozen ligands of different sizes. I'd like to overlap the protein residues forming the binding site. My plan was to pick the 2 largest ligands, select all protein residues within say 7 A, and consider these to be the residues forming the binding site. Then, I'd like to match this set of residues for all proteins to the same reference. I suppose I could do this all manually, but I'm hoping that there is a quicker, more efficient way! Any tips are appreciated! Thanks and Cheers Markus -- Markus Heller, Ph.D. NMR Scientist CDRD - The Centre for Drug Research and Development 2405 Wesbrook Mall, Fourth Floor | Vancouver, BC V6T 1Z3 | Main: (604) 827-1147 Direct: (604) 827-1122 | F: (604) 827-1299 | E: mheller@cdrd.ca<mailto:mheller@cdrd.ca> | www.cdrd.ca [cid:image007.png@01CEEC32.879D5C80] Follow us: [Description: cid:image003.jpg@01CD86A6.39B41A10] <https://twitter.com/C_D_R_D> [Description: cid:image005.jpg@01CD86AE.B197F5D0] <http://www.linkedin.com/groups/CDRD-3186016/about?report%2Esuccess=3NcE4iZo5QzagkO261M3aXe-B-TlARKBdjF7DAAAM-pSOa9_fAg67zA-NqOzVcb8I4zDMyK-MLWY5h9uI01j7OVI_QTVGWfuFtRDBJJle1wzFYTM5AvuRGUAMRWIpWKMI2g6aOg4NN_PXv5DAAP6RyF-BnszFYXufzF6aCzz7m6PKKGjfCN_NfYdaZsPILTDlgIuiVd-MLWqO-rDz4duiGFAR-wIFaXsWXUEldO> [Description: cid:image009.png@01CD86AE.B197F5D0] <https://www.facebook.com/pages/The-Centre-for-Drug-Research-and-Development-CDRD-Ventures-Inc/465976796791713?ref=hl> [Description: cid:image010.png@01CD86AE.B197F5D0] <http://www.youtube.com/user/CDRDCVI?view_as=public> This email and any files transmitted with it are confidential and intended solely for the addressee. If you are not the named addressee you should not disseminate, distribute, copy, or alter this email.
