FPocketWeb

Input Parameters
Running FPocketWeb
Output
Start Over

Use this tab to setup a FPocketWeb job in your browser. Specify the input files and fpocket parameters below.

Input File

File
PDB
AF
URL

Choose a file or drop it here...

This field is required! Load a PDB file for pocket detection.

PDB Preview

Missing PDB File

Use the file input above to select the PDB file.

Advanced Parameters

Optional output parameters

Optional parameters to control FPocketWeb output

Calculate VdW and Coulomb grids for each pocket

Write fpocket descriptors to the standard output

Optional input parameters

Advanced parameters that are best left unmodified

model_number

Number of model to analyze. (Leave blank to use default value.)

Optional pocket detection parameters

min_alpha_size

Minimum radius of an alpha-sphere. (Leave blank to use default value.)

max_alpha_size

Maximum radius of an alpha-sphere. (Leave blank to use default value.)

clustering_distance

Distance threshold for clustering algorithm. (Leave blank to use default value.)

clustering_method

Clustering method for grouping voronoi vertices. (Do not change to use default value.)

clustering_measure

Distance measure for clustering. (Do not change to use default value.)

min_spheres_per_pocket

Minimum number of a-sphere per pocket.

ratio_apol_spheres_pocket

Minimum proportion of apolar sphere in a pocket (remove otherwise)

number_apol_asph_pocket

Minimum number of apolar neighbor for an a-sphere to be considered as apolar.

iterations_volume_mc

Number of Monte-Carlo iterations for calculating each pocket volume.

Working

Running FPocketWeb in your browser. Pocket searching may take some minutes.

This page may become unresponsive while performing calculations. Need to stop FPocketWeb but can't close this tab? Use your browser or operating-system Task Manager.

Visualization

Missing POCKETS File

Execution time: 0 seconds

Detected Pockets

Pocket # (Click to sort Ascending)	Color	Score (Click to sort Ascending)	Druggability (Click to sort Ascending)	Alpha Spheres (Click to sort Ascending)	Volume (Click to sort Ascending)	Details

Output Files

All Output

Download all FPocketWeb output as a ZIP file, including the information displayed above.

Output PDB File

FPocketWeb's output file with the pocket positions.

If you start over, your existing data will be deleted. Proceed only if you have already saved your data using the "Download" button(s) in the "Output" tab.

FPocketWeb 1.0.1

Input File

PDB Preview

Missing PDB File

Advanced Parameters