Re: [ccp4bb] Question on calculation of RMSD

2010-11-15 Thread Martin Hallberg
I think it is still hard to beat lsq_imp as implemented in 'O'. http://xray.bmc.uu.se/alwyn/A-Z_of_O/everything_e-l.html#anchor1342614 Cheers, Martin On Nov 15, 2010, at 2:32 AM, Clement Angkawidjaja wrote: DALI server (http://ekhidna.biocenter.helsinki.fi/dali_server/). Choose the

Re: [ccp4bb] DNA-protein complex.

2010-11-15 Thread Nicolas Foos
Hi, maybe you solved your problem, if not, you can try this : You prepare your protein at high salt concentration. After that you add your ssDNA directly and you proceed by dialysis. You prepare your dialysis with a low salt concentration buffer. You can use different buffer by step in order

Re: [ccp4bb] Graphics for notebook

2010-11-15 Thread Kay Diederichs
Eric Karg harvard...@yahoo.com Datum: Sun, 14 Nov 2010 21:37:10 + Dear all, Thanks for your suggestions. From what I learned new GPUs from NVIDIA are using the Optimus technology which does not support Linux, meaning that only the dedicated graphics on the system will be used in

Re: [ccp4bb] Question on calculation of RMSD

2010-11-15 Thread Goragot Wisedchaisri
I would first calculate least square superposition of the first monomer between 2 structures (one to be fixed and one to be moved) using a program such as lsqkap or any other programs suggested by others. You may need to define a relevant region for the superimposition. Then take the output

Re: [ccp4bb] Question on calculation of RMSD

2010-11-15 Thread Jim Fairman
Raj, There are many programs that will give you an RMSD per residue difference between your bound and un-bound protein. Some will even write the RMSDs to the B-factor column of your PDB. You can then visualize regions in your protein that have structural changes/movement in the bound vs.

[ccp4bb] Enforcing ncs on water molecules

2010-11-15 Thread Dale Tronrud
Hi I'm refining my first structure with a significant amount of ncs and am not looking forward to my usual, manual, editing of the water model. Could someone point me in the direction of a program that will encourage my water to obey the ncs? What I have in mind is to, first, find each

Re: [ccp4bb] Enforcing ncs on water molecules

2010-11-15 Thread David Veesler
Dear Dale, concerning the first part of your request you can use BUSTER and include your water molecules in ncs restraints. Here is the link for the wiki explaining that http://www.globalphasing.com/buster/wiki/index.cgi?AutoBusterExample4chawaterNCS HTH All the best David Le 15 nov. 10 à

[ccp4bb] Protein Crystallization Webinar

2010-11-15 Thread Angela Criswell
Dear colleagues, I would like to draw your attention to an upcoming webinar to be presented by Janet Newman, Ph.D. titled When you need a challenge, try protein crystallisation: Tips and suggestions for helping you over the hurdles. Janet currently runs theBio21 Collaborative Crystallisation

[ccp4bb] tRNA expression

2010-11-15 Thread Patrick Loll
Here's an ignorant question: When people express an exogenous tRNA in E coli (to overcome rare codon issues, for example, or to supply a cognate tRNA for an orthogonal synthetase), what sorts of promoters are used? My (ignorant) guess is that something as potent as the T7 promoter might be a