Package: wnpp Severity: wishlist Owner: "Maarten L. Hekkelman" <maar...@hekkelman.com>
* Package name : libpdb-redo Version : 1.0.0 Upstream Author : Maarten L. Hekkelman <maar...@hekkelman.com> * URL : https://github.com/PDB-REDO/libpdb-redo * License : BSD-2-Clause Programming Lang: C++ Description : Library containing shared code for the various programs in project PDB-REDO For the PDB-REDO project, a lot of programs have been created over time. Many of these application share common routines and these are combined in this particular library. The PDB-REDO tools that are of general interest will follow as separate Debian packages. About PDB-REDO: PDB-REDO is a procedure to optimise crystallographic structure models, providing algorithms that make a fully automated decision making system for refinement, rebuilding and validation. It combines popular crystallographic software from CCP4, e.g. REFMAC and COOT, with with our specially developed rebuilding tools Centrifuge, Pepflip & SideAide and structure analysis tools like WHAT IF and PDB-care. PDB-REDO optimises refinement settings (e.g. geometric and B-factor restraint weights, B-factor model, TLS groups, NCS and homology restraints), refines with REFMAC, partially rebuilds the structure (rejects waters, refines side chains, checks peptide planes), refines some more, and then validates the results. With PDB-REDO you can obtain updated and optimised versions of existing entries of the PDB from our DataBank, or you can optimise your own structure model using our Server. If you want to know more or install PDB-REDO on your own computers, please check below.
