1. Jan-Philip Gehrcke
  2. python_molecular_structure_comparison

Source

python_molecular_structure_comparison /

Filename Size Date modified Message
54.3 KB
cluster_pdb_structures.py: Implement --min-clusters and --min-members options for DBSCAN --optimize mode.
3.8 KB
DBSCAN: fix density-reachable samples being classified as core points.
23.1 KB
Minor changes to, among others, pymol_clusterview.
4.1 KB
Add FixedFloatPrecisionDict, major optimization changes, work in progress.
12.8 KB
Comment on "fmin not found in brute force array".
8.9 KB
Add OrderedDict backport for cluster_pdb_structures.
9.5 KB
Add pdb-spatial-frequency-distribution.
2.2 KB
Add pymol_clusterview.sh
2.2 KB
Minor changes to, among others, pymol_clusterview.
12.1 KB
Initial precalc7_bottleneck implementation for cluster-pdb-structures.
13.9 KB
Minor changes.
6.0 KB
Minor changes to, among others, pymol_clusterview.
4.2 KB
Add FixedFloatPrecisionDict, major optimization changes, work in progress.
4.5 KB
Initial precalc7_bottleneck implementation for cluster-pdb-structures.