Dear MoRDa users A new update to the package is released. This is currently available for standalone MoRDa installations.
In addition to regular extension of the database, the following new features are added to the structure solution pipeline. 1. Multimeric search models reduced to interacting domains. This type of models is generated if MoRDa database contains a homologous homo- or hetero-oligomeric structure. The domains belonging to different subunits of that structure but making close contacts with each other, are assembled into a single search model. Based on this, an ensemble model is generated if selected domains have other homologues in the database. Such search models are relevant for e.g. solution of immunoglobulin structures. (Previous MoRDa versions were only generating non-ensemble multimeric search models composed of complete chains). 2. A command line option to use a search model missing from Morda database (e.g. a model that has not yet been deposited in the PDB). morda -f file_sf -s file_seq -p my_model.pdb morda_prep -f file_sf -s file_seq -p my_model.pdb If my_model.pdb contains a single polypeptide chain, an attempt will be made to generate ensemble models adding structures from the database. If the model contains DNA or RNA or more than one polypeptide chain, or is an NMR model, it will be used as is in MR trials. 3. A few more command line options for tweaking MR trials with a particular model, generated or provided by the user. Run morda_solve -h for details. Both update and installation instructions are available from MoRDa homepage <http://www.biomexsolutions.co.uk/morda>. MoRDa can be used online through ccp4cloud <https://cloud.ccp4.ac.uk/> and ccp4online <https://ccp4online.ccp4.ac.uk/>. Best wishes Alexey ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
