Remediator

Remediator is a software that specializes in converting PDB files between PDBv2.3 and PDBv3.0 formats with accuracy and speed. Whether you need to convert old files to new or new ones to old, Remediator can handle the job with ease. Atom records of type ATOM, HETATM, TER, ANISOU, SIGATM, SIGUIJ, and LINK are all included in the conversion process. Moreover, Remediator is capable of converting DNA residue names like A, G, C, and T of v2.3 as well as DA, DG, DC, DT of v3.0.

This tool is available as both a Perl or Python script and can run on any computing platform provided that the operating system has the necessary framework. The remediated Chemical Component Dictionary is used as Remediator's "rosetta stone" for conversion, ensuring that the necessary information is incorporated into a hash table. Therefore, the Perl script utilizes an internal hash table while the Python script employs an external file.

Remediator also has straightforward requirements, needing only either Python or Perl. However, it is essential to note that you may need to alter the first line of the script, the shebang, to point it to your computer's Perl or Python location. Overall, Remediator is an effective tool for file conversion, complemented by its versatility and user-friendly interface.