ChExVis Job Form

The fields are already populated with good default values for input parameters. However, you can modify these values a bit if you want. Hovering over the fields provides brief information about the input parameters.

  • PDB id of protein structure available on RCSB database.

  • Upload PDB file in text format.

  • Controls the size of atoms at which cavities are computed. Alpha=0 corresponds to no change in radius while higher values mean radii are increased.

  • Radius of the probe molecule. By default 1.00Å is taken as probe radius. If you don't get expected results, try reducing this value. You can even set it to 0Å to consider channel of any width as feasible.

  • Enter residue IDs of active sites separated by space. Mutiple active sites should be separated by commas. e.g. LEU:A:17 VAL:A:22, PRO:A:41

  • Number of end points to automatically select for pore computation.

  • Number of end points to select inside the cell.

  • Number of end points to select outside the cell.

  • Widest Channels:

  • Channels Profiles:
  • APBS field for the molecule is computed and then it is mapped onto the channels. Note: Time consuming.

  • Compute conservation profile for the channels based on conservation of residues. Note: Time consuming.

  • Send the result link to this Email ID when the job is finished.


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