Re: [ccp4bb] oligomer ligand building

2010-10-28 Thread Garib N Murshudov
Hi As I see you want to use link between ligands. You need to create this link description first. It can be done using JLigand that is available from: www.ysbl.york.ac.uk/mxstat/ There are tutorials how to create ligands and links. It should help you to create links We are updating at the mom

Re: [ccp4bb] oligomer ligand building

2010-10-28 Thread Paul Emsley
On 28/10/10 20:12, Changyi Xue wrote: Hi, all I am trying to build an oligomer ligand. I have obtained all the cif files for the monomers from HIC-UP. I tried to build several monomers in using coot. Then I modified the pdb file and stated the link in the pdb head (LINKR X ABC 1 Y AB

Re: [ccp4bb] oligomer ligand building

2010-10-28 Thread Paul Holland
Hi Changyi, I'm not sure if this will answer your question, but it is likely that the cif file you are reading into Refmac is not in the correct format from Hic-Cup. I would suggest reading your coordinate file for the ligand into the Dundee server which will output a cif formats for refineme

[ccp4bb] oligomer ligand building

2010-10-28 Thread Changyi Xue
Hi, all I am trying to build an oligomer ligand. I have obtained all the cif files for the monomers from HIC-UP. I tried to build several monomers in using coot. Then I modified the pdb file and stated the link in the pdb head (LINKR X ABC 1 Y ABC 2X-Y). However, when using re