Computes phase probability distributions for SAD data. SOLVE/RESOLVE can be used for the recognition of NCS, density modification, and automated model-building. It determines the occupancies and positions of the anomalously-scattering atoms. This tool employs a library of side chain templates to match side chain density in a map with side chain types and rotamers in a probabilistic fashion.
Determines hydrogen bond inter-molecular distances and distance to surface from PDB files. HydrogenBondifier contains basic functions for structure information and a scriptable interface to pymol. It can be useful in the context of hydrogen exchange experiments.
Allows protein structure analysis. MDT performs preparation of a raw frequency table, given information from MODELLER alignments and/or PDB files. The software uses a sample of sequences, structures, and/or alignments to construct a table N(a,b,c,...,d) for features a, b, c, ..., d. It can also process the raw frequency table in several ways, such as normalization or smoothing, perform entropy calculations and write out the data in various formats, including for plotting by ASGL and use as restraints by MODELLER.