Getting Started
Getting Started
Quickstart
User Guide
Pipeline Overview
Input Formats
Configuration Reference
CLI Reference
Output Structure
Reference
API Documentation
qp.structure
qp.protonate
qp.cluster
qp.cluster.charge_count
qp.cluster.spheres
qp.cluster.spheres_bad
qp.cluster.spheres_bad.box_outlier_thres
qp.cluster.spheres_bad.build_heavy
qp.cluster.spheres_bad.build_hydrogen
qp.cluster.spheres_bad.calc_dist
qp.cluster.spheres_bad.cap_chains
qp.cluster.spheres_bad.check_NC
qp.cluster.spheres_bad.check_atom_valence
qp.cluster.spheres_bad.complete_oligomer
qp.cluster.spheres_bad.compute_charge
qp.cluster.spheres_bad.count_residues
qp.cluster.spheres_bad.extract_clusters
qp.cluster.spheres_bad.fill_dummy
qp.cluster.spheres_bad.get_center_residues
qp.cluster.spheres_bad.get_grid
qp.cluster.spheres_bad.get_grid_coord_idx
qp.cluster.spheres_bad.get_next_neighbors
qp.cluster.spheres_bad.get_normalized_vector
qp.cluster.spheres_bad.make_res_key
qp.cluster.spheres_bad.merge_centers
qp.cluster.spheres_bad.plot_voronoi_2d
qp.cluster.spheres_bad.plot_voronoi_3d
qp.cluster.spheres_bad.prune_atoms
qp.cluster.spheres_bad.residue_in_ligands
qp.cluster.spheres_bad.scale_hydrogen
qp.cluster.spheres_bad.voronoi
qp.cluster.spheres_bad.write_pdbs
qp.cluster.struct_to_file
qp.manager
qp.analyze
qp.cli
FAQ & Troubleshooting
Citation
quantumPDB
⁄
API Documentation
⁄
qp.cluster
⁄
qp.cluster.spheres_bad
⁄
qp.cluster.spheres_bad.get_center_residues
qp.cluster.spheres_bad.get_center_residues
¶
qp.cluster.spheres_bad.
get_center_residues
(
model
,
center_residues
,
merge_cutoff
=
0.0
)
[source]
¶