cdl_shelxl ServiceProduces shelxl Restraints based on the Conformation Dependent Library (V1.2) |
This service creates the input required to restrain a protein model to the CDL using the shelxl refinment program. It needs a structural model in PDB format to calculate the backbone conformational angles. shelxl can only work with models that have a single "chain" and the name of that chain must be blank. To avoid these problems your model needs to be processed by shelxpro before it is submitted to this service.
The use of these restraints in refinement is described in Tronrud & Karplus, 2011, Acta Cryst, D67, 699-706.
The Conformation Dependent Library is described in Berkholz, et al, 2009, Structure, 17, 1316-1325.