def __init__(self, rec, lig, cov, cov_index, HG, tart=False):
self.tart = bool(tart)
self.rec = rec
self.lig = lig
self.folder = os.path.dirname(os.path.abspath(rec)) + "/"
self.fixed_rec = self.folder + "rec.pdb"
self.fixed_lig = self.folder + "xtal-lig.pdb"
self.cov = cov
self.cov_index = cov_index
self.hg = HG
PyUtils.initPythonVs()
def __init__(self, rec, lig, cov, cov_index, HG):
self.rec = rec
self.lig = lig
#self.folder = os.getcwd() + "/"
self.folder = os.path.dirname(os.path.abspath(rec)) + "/"
self.fixed_rec = self.folder + "rec.pdb"
self.fixed_lig = self.folder + "xtal-lig.pdb"
self.cov = cov
self.cov_index = cov_index
self.hg = HG
PyUtils.initPythonVs()
def __init__(self, rec, lig, cov, cov_index, HG, tart=False):
self.tart = bool(tart)
self.rec = rec
self.lig = lig
self.folder = os.path.dirname(os.path.abspath(rec)) + "/"
self.fixed_rec = self.folder + "rec.pdb"
self.fixed_lig = self.folder + "xtal-lig.pdb"
self.cov = cov
self.cov_index = cov_index
self.hg = HG
PyUtils.initPythonVs()
def __init__(self, rec, lig, cov, cov_index, HG):
self.rec = rec
self.lig = lig
#self.folder = os.getcwd() + "/"
self.folder = os.path.dirname(os.path.abspath(rec)) + "/"
self.fixed_rec = self.folder + "rec.pdb"
self.fixed_lig = self.folder + "xtal-lig.pdb"
self.cov = cov
self.cov_index = cov_index
self.hg = HG
PyUtils.initPythonVs()
def __init__(self, rec, lig, cov, cov_index, HG, tart=False):
self.tart = bool(tart)
self.rec = rec
self.lig = lig
self.folder = os.path.dirname(os.path.abspath(rec)) + "/"
self.fixed_rec = self.folder + "rec.pdb"
self.fixed_lig = self.folder + "xtal-lig.pdb"
if os.path.isdir(self.folder + "working/"):
shutil.rmtree(self.folder + "working/")
if os.path.isdir(self.folder + "dockfiles/"):
shutil.rmtree(self.folder + "dockfiles/")
self.cov = cov
self.cov_index = cov_index
self.hg = HG
PyUtils.initPythonVs()
