[ccp4bb] Generating .top and .param for metal-benzene coordination

2007-11-18 Thread Peng Xie
Hi, all I am refining a structure that has a metal-benzene coordination bond, usually the pdb was constructed in a way as seen in the crystal structure determined for the small molecule ligand. When I generated the .top and .param files, I usually could not define the bond between metal and the be

Re: [ccp4bb] Mico-focus beamline

2007-07-20 Thread Peng Xie
Thank you so much for all you guys' replies, It looks like APS is a realistic option, I have been to 23ID D before, I didn't know they now have the micro focus capability. Thanks again for all your help! Best, Peng On 7/20/07, Martin Austin Walsh <[EMAIL PROTECTED]> wrote: very true ...and t

[ccp4bb] Mico-focus beamline

2007-07-20 Thread Peng Xie
Hi, all I am working with this protein that only gives very thin needle crystals (25micron by 25 micron by 100-200micron) despite of various atempts to make it bigger, I am wondering if anybody here has any information as to where I can find a micro-focus beamline that will work on tiny needle cr