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pdb2pqr 1.8-1
  • links: PTS, VCS
  • area: main
  • in suites: wheezy
  • size: 8,576 kB
  • sloc: python: 24,897; sh: 12,005; cpp: 9,831; xml: 9,098; makefile: 355; ansic: 36

Folder: pdb2pka

d .. (parent)
d d rwxr-xr-x 4,096 ligandclean
d d rwxr-xr-x 118 substruct
- - rw-r--r-- 962 Makefile.am
- - rw-r--r-- 16,109 Makefile.in
- - rw-r--r-- 28,527 NEWligand_topology.py
- - rw-r--r-- 3,013 TITRATION.DAT
- - rw-r--r-- 0 __init__.py
- - rw-r--r-- 13,792 apbs.py
- - rw-r--r-- 3,425 charge_mon.py
- - rw-r--r-- 7,906 example.py
- - rwxr-xr-x 11,421 inputgen_pKa.py
- - rw-r--r-- 28,449 ligand_topology.py
- - rwxr-xr-x 34,195 pKaIO_compat.py
- - rw-r--r-- 4,910 pKa_base.py
- - rwxr-xr-x 5,498 pKa_utility_functions_compat.py
- - rw-r--r-- 10,223 pMC_mult.cpp
- - rw-r--r-- 1,537 pMC_mult.h
- - rw-r--r-- 272 pMC_mult.i
- - rw-r--r-- 11,843 pMC_mult.py
- - rw-r--r-- 370,291 pMC_mult_wrap.cpp
- - rwxr-xr-x 21,701 pka.py
- - rw-r--r-- 4,081 pka_help.py
- - rwxr-xr-x 98,915 pka_routines.py
- - rwxr-xr-x 8,043 prepare_pKa_ligand.py