= Format conversion =

Usually, for file conversion [http://www.openbabel.org/ OpenBabel] can be used. However, molecuilder is also capable of converting the following number of formats into one another:
 * [http://www.mpqc.org/ MPQC]'s .in
 * PCP's .conf
 * [http://www.tremolo-x.de/ TREMOLO-X]'s .data
 * standard [http://www.pdb.org/pdb/static.do?p=file_formats/pdb/index.html PDB]
 * standard [http://en.wikipedia.org/wiki/XYZ_file_format XYZ]

The advantage is mostly with TREMOLO-X. Molecuilder can also parse its ''.potentials'' file and hence treat atoms correctly despite arbitrary naming.

The howto is simple: We parse in the input format and specify the desired output format: E.g.
{{{
molecuilder -i <input file> -o xyz
}}}
would store a copy of the input file (its format is recognized by the suffix) in the desired output format, here xyz. Output formats are specified as follows: '''mpqc''', '''pcp''', '''tremolo''', '''pdb''' or '''xyz'''.