A user has to provide the different input files for the PyRED program in a single archive file. An archive file is generally compressed allowing a fast upload of large files. The maximum size for an uploaded archive file is set to 90 MB at R.E.D. Server Development (see here for help for creating an archive file).

To be recognized by PyRED, the input files must have the following names in the archive file:
The PyRED program does NOT recognize the MOL2, P2N and ENT input file formats! Use instead the PDB file format with the '.pdb' file extension for your input molecule(s).

Various types of archive files are automatically recognized by R.E.D. Server Development (input files in the archive file can be in the working directory or in a sub-directory):
The name and extension of the archive file do not matter: the filename of the uploaded archive is automatically renamed into "ArchiveFile".

The molecule(s) involved in a PyRED job corresponds to the Mol_red$n.pdb file(s) available in the uploaded archive file. The molecule order used in force field generation also corresponds to that defined in the archive file.

We regularly extend the process of recognition of the archive file and of the files available in this archive by R.E.D. Server Development/PyRED based on the problems encoutered by the users...

Last update of this page: April 18th, 2024.

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