Protein ranking:

This tool classify a set of proteins by their pI's. The calculations are based only in the primary structure of protein.

Split protein:

Several PDB files have more them one structure protein inside it. Sometimes this condition is necessary to obtain the 3D structure of protein. Them, this tool allows the user split each protein present in the PDB file in individuals files. Each individual file has: SEQRES, SSBOND and ATOM fields.

Check and clean PDB:

This tool perform a basic test on protein structure, witch check for:
  • Find for missing atoms or residues
  • Find for unknown atoms or residues
  • Find for duplicated atoms or residues
All informations are display for the user.

Find best case:

On the base in the protein properties, as titration and capacitance, this tool classify a set of protein as a function of the physical-chemistry properties of solvent (pH, salt concentrations, temperature and others).

Make PQR File:

PDB2PQR is a Python software package that provides a utility for converting protein files in PDB format to PQR format.

For more information about PDB2PQR tool see Nucleic Acids Research, 32, W665-W667 (2004), or you can visit: http://pdb2pqr.sourceforge.net/

The outcome is shown as link which user can view or can download a text file (ASCII format) which contains the file in PQR format.


Create MEAD files:

This tool helps the user to create the necessary files to execute the programs of MEAD package. In this way the user can set the dielectric constant of solvent and solute, salt concentration, temperature, the force field witch will used to provide the charges and radius of the atoms in the protein structure and others. In the end, all configuration files are available to download.