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trunk/ 328 (14 years ago) by duarte: First commit of ConstraintsMaker (and PRMInfo needed for it) Does correct atom serial mapping when using amber prm files, except for some atoms of ASP, ARG, GLU, PHE, TYR (where there are some nomenclature differences between amber and pdb) Does not work yet with multi atom contact types, should work fine for all single atom contact types and for crossed single atom contact types The pdb/xyz atom mapping using coordinates (as in python) is commented out because it doesn't work due to rounding differences between java and fortran Thus the PRMInfo class was needed, at the moment can read only amber prm files Some new methods and better javadoc in Pdb. Some new methods in AAinfo
tags/ 304 (14 years ago) by stehr: tagging version 0.8.3 corresponding to CMView 0.8.3
branches/ 1 (16 years ago) by filippis: Initial import of tools
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