Chemistry::File::PDB

Chemistry::File::PDB is a powerful software module written in Perl that specializes in the reading and writing of PDB files. For those who may not know, PDB files are commonly used for describing proteins, especially those stored in the Protein Data Bank (PDB). Currently, the module only reads specific record types, specifically ignoring everything else. The record types it does read are ATOM, HETATM, ENDMDL, and END.

The PDB reader and writer operate efficiently by using Chemistry::MacroMol objects, although Chemistry::Mol objects may also be used with some slight data loss. Furthermore, this software identifies and reads PDB files by using the "pdb" format with Chemistry::Mol. Autodetection is made simple by assuming that any file with the extension ".pdb" or having a line that matches /^(ATOM |HETATM)/ is a PDB file.

In terms of usage, Chemistry::File::PDB offers a streamlined SYNOPSIS. For instance, users can read a PDB file with the simple line of code "my $macro_mol = Chemistry::MacroMol->read("myfile.pdb");". Similarly, users can also write a PDB file with "$macro_mol->write("out.pdb");". The software also offers the flexibility of reading multiple models within a single file or one model at a time.

In conclusion, Chemistry::File::PDB is a useful Perl module for those who work with PDB files and require an efficient and dynamic software platform for reading and writing them. Its straightforward usage ensures users can quickly and easily read and write PDB files while also being able to control specific parameters with ease.