Remediator Remediator converts PDB files between PDBv2.3 and PDBv3.0 formats
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converter convert pdb pdb converter pdb conversion residue name conversion

Remediator Description

Remediator converts PDB files between PDBv2.3 and PDBv3.0 formats Remediator converts PDB files between PDBv2.3 and PDBv3.0 formats. It can accurately and rapidly convert in either direction: old to new OR new to old. Atom records of type ATOM, HETATM, TER, ANISOU, SIGATM, SIGUIJ, and LINK are converted, as are DNA residue names(e.g., A, G,C, T of v2.3 cf. DA, DG, DC, DT of v3.0).Remediator is available as a Perl or Python script. The scripts should work on any type of computing platform, as long as your operating system has the appropriate framework. Remediator uses the remediated Chemical Component Dictionary as its "rosetta stone" for conversion. The necessary information is incorporated into a hash table - internally for the Perl script, as an external file for the Python script.Requirements:· Python or PerlNOTE: You may need to edit the first line, the shebang, of the script to point at your computer's Perl or Python location.

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