Re: [ccp4bb] Shelx Search for Heavy Atom Cluster

2014-08-30 Thread Christian Roth
Hi Alex, I am not sure about the possibility to search for a cluster in ShelX. However if not you can search for your cluster with the appropriate cluster model using Molrep and your DANO signal. The details can be found in the mentioned paper. Depending on the resolution it might work. Lo

[ccp4bb] Shelx Search for Heavy Atom Cluster

2014-08-30 Thread Alexander Kintzer
Hello All, I am trying to locate heavy atoms in low resolution SAD/MAD data using Shelx. I can locate individual atoms, but they have low occupancy and the resulting maps are relatively uninterpretable even after density modification, autotracing, refinement, etc. The heavy atoms are part of clust