AMBER/DYANA/MOLMOL Phosphorylated Amino Acid Library Set and Incorporation into NMR Structure Calculations

An easy set of Installation instructions are provided.

A complete download tar file is also provided.

This directory contain both the final AMBER, DYANA, and MOLMOL libraries developed for our execution of simulated annealling required to determine NMR solutions structures with phosphorylated residues.

In addition, a number of MATLAB scripts are also provided for those who would like to generate their own modified amino acid library segments. There are two MATLAB toolboxes

that perform the required transformations from a generated PDB file from a molecular modeling package like Insight II.

Also included in the release is a set of regression test cases.

which contain both the Insight II original PDB files and the intermediate files processed to arrive at the final geometry files.

Contributor information

Questions can to addressed to:

John W Craft Jr or
Glen Legge
Tel: (713) 743 8380
Fax: (713) 743 2636
University of Houston
Department of Biology and Biochemistry
353 SR2
Houston, Texas 77204-5001