Re: [ccp4bb] coordinates of TCEP

2008-06-25 Thread Guenter Fritz
Hi, if a compound is not in the hic-up data base of the USF (http://xray.bmc.uu.se/hicup/) I usually go to NCBI Pubchem database (TCEP e.g. at http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=119411&loc=ec_rcs) , download the sdf file, feed it into a programm that can read it and put ou

[ccp4bb] coordinates of TCEP

2008-06-25 Thread Joe
Hi there, I suspect my reducing agent TCEP-HCl is bound to my protein in the crystal. I am trying to put a TCEP molecule into the bulky density, but could not find any available coordinates of TCEP. Do you know any where I can download the TCEP coordinates or any where I can build one starting from