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src/p/y/Pymol-script-repo-HEAD/modules/ADT/AutoDockTools/Utilities24/write_all_complexes.py   Pymol-script-repo(Download)
 
from MolKit import Read
from AutoDockTools.Docking import Docking
 
 
 
 
    d = Docking()
    d.readDlg(docking_filename)
    receptor_stem = os.path.splitext(os.path.basename(receptor_filename))[0]

src/p/y/Pymol-script-repo-HEAD/modules/ADT/AutoDockTools/Utilities24/summarize_results4.py   Pymol-script-repo(Download)
from MolKit import Read
from MolKit.hydrogenBondBuilder import HydrogenBondBuilder
from AutoDockTools.Docking import Docking
from mglutil.math.rmsd import RMSDCalculator
from PyAutoDock.InternalEnergy import InternalEnergy
    #read all the docking logs in as one Docking
    dlg_list = glob.glob(directory + '/*.dlg')
    d = Docking()
    for dlg in dlg_list:
        #code contributed by S.Forli

src/p/y/Pymol-script-repo-HEAD/modules/ADT/AutoDockTools/Utilities24/summarize_results.py   Pymol-script-repo(Download)
from MolKit import Read
from MolKit.hydrogenBondBuilder import HydrogenBondBuilder
from AutoDockTools.Docking import Docking
from mglutil.math.rmsd import RMSDCalculator
from PyAutoDock.InternalEnergy import InternalEnergy
    #read all the docking logs in as one Docking
    dlg_list = glob.glob(directory + '/*.dlg')
    d = Docking()
    for dlg in dlg_list:
        d.readDlg(dlg)

src/p/y/Pymol-script-repo-HEAD/modules/ADT/AutoDockTools/Utilities24/summarize_docking_directory.py   Pymol-script-repo(Download)
 
from MolKit import Read
from AutoDockTools.Docking import Docking
 
if __name__ == '__main__':
 
    #read all the docking logs in as one Docking
    d = Docking()
    for dlg in dlg_pathname_list:
        log.debug("reading dlg: %s" % dlg)

src/p/y/Pymol-script-repo-HEAD/modules/ADT/AutoDockTools/Utilities24/summarize_docking.py   Pymol-script-repo(Download)
from MolKit import Read
from MolKit.hydrogenBondBuilder import HydrogenBondBuilder
from AutoDockTools.Docking import Docking
from mglutil.math.rmsd import RMSDCalculator
from PyAutoDock.InternalEnergy import InternalEnergy
 
    #read the docking log
    d = Docking()
    d.readDlg(docking_logfile)
    if receptor_filename is not None:

src/p/y/Pymol-script-repo-HEAD/modules/ADT/AutoDockTools/Utilities24/compute_consensus_maps_from_dlgs.py   Pymol-script-repo(Download)
#
import os, glob, numpy.oldnumeric as Numeric, math
from AutoDockTools.Docking import Docking
from PyAutoDock.AutoGrid import GridMap
from MolKit.molecule import Atom, AtomSet, Bond, Molecule
    at_types = {}
    for dlg in dlg_list:
        d = Docking()
        d.readDlg(dlg)
        ctr+= 1

src/p/y/Pymol-script-repo-HEAD/modules/ADT/AutoDockTools/Utilities24/write_models_from_states.py   Pymol-script-repo(Download)
from AutoDockTools.Conformation import Conformation
 
from AutoDockTools.Docking import Docking
 
 

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