Hotspots

Choose a file (only .pdb files are allowed):

Grid spacing

Pocket residue name

Pocket residue ID

Ligand chains

Pocket size

Discard heteroatoms

Discard hydrogens

Discard water molecules

Chains to keep exemple : A, C

Neighbor to consider for scoring

Tag threshold Tagged limit for a position to be considered as voxels

Origin score threshold Score limit to be consider as origin

Retaining score threshold Score limit to retain a potential voxel as hotspot

Number of rounds

Hotspot types (Sybyl)