""" python/ui/resources.py: CCP4MG Molecular Graphics Program Copyright (C) 2001-2008 University of York, CCLRC Copyright (C) 2009-2010 University of York This library is free software: you can redistribute it and/or modify it under the terms of the GNU Lesser General Public License version 3, modified in accordance with the provisions of the license to address the requirements of UK law. You should have received a copy of the modified GNU Lesser General Public License along with this library. If not, copies may be downloaded from http://www.ccp4.ac.uk/ccp4license.php This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more details. """ from utils import * import os from string import * from mgapp import * from mmdb2 import * from mmut import * import ccp4srs import mmut import mmdb2 #------------------------------------------------------------------ # Interface with the C/C++ resources for handling models #------------------------------------------------------------------ class CResources: CMolBondParams = '' # The monomer database distributed from EBI sbase = '' monomers_dir = '' ener_lib = '' mon_lib = '' ele_lib = '' def __del__(self): if os.environ.has_key("CCP4MG_DEBUG_MEMORY"): print "resources __del__" #------------------------------------------------------------------ def __init__(self): #------------------------------------------------------------------ # Initialise mmdb InitMatType() #-------------------------------------------------------------------------------- def load_resources(self): #-------------------------------------------------------------------------------- import utils CResources.mon_lib = os.path.join(os.environ["CCP4_MGDATA"] , "mon_lib_list") # Is the Refmac Monomer library accessible if os.environ.has_key("MONOMER_LIBRARY") and os.path.exists(os.environ['MONOMER_LIBRARY']): CResources.monomers_dir = os.environ['MONOMER_LIBRARY'] #Make sure there is a terminating slash if not ['/','\\'].count(CResources.monomers_dir[-1]): md = os.path.join(CResources.monomers_dir,'a') CResources.monomers_dir = md[0:-1] #elif os.environ.has_key("CCP4"): # mon_dir = os.path.join(os.environ['CCP4'],'lib','data','monomers','a') # CResources.monomers_dir = mon_dir[0:len(mon_dir)-1] if CResources.monomers_dir and not os.path.exists(CResources.monomers_dir): CResources.monomers_dir = "" CResources.user_monomers_dir = os.path.join(utils.get_CCP4MG(),'data','monomer_library') #print "user_monomers_dir", CResources.user_monomers_dir # Is the SBase stuff needed and/or present if not CResources.monomers_dir: sbase = os.path.join(os.environ["CCP4_MGDATA"] ,"sbase") if os.path.exists(sbase) and os.path.exists(os.path.join(sbase,'index.sbase')): CResources.sbase = sbase CResources.SRS = ccp4srs.Manager() CResources.SRS.loadIndex(os.path.join(os.environ["CCP4"],"share","ccp4srs")) for i in range(mmdb2.nAminoacidNames): CResources.SRS.loadStructure(mmdb2.getAAProperty(mmdb2.AAProperties,i).name) for i in range(mmdb2.nNucleotideNames): CResources.SRS.loadStructure(mmdb2.getPstr(mmdb2.NucleotideName,i)) CResources.CMolBondParams = mmut.CMolBondParams() mmut.CMMUTSRS.LoadCovalentDistances(os.path.join(os.environ["CCP4MG"],"data","covalent_distances")) mmut.CMMUTSRS.LoadEnerLib(os.path.join(os.environ["CCP4MG"],"data","ener_lib.cif")) mmut.CMMUTSRS.LoadEleLib(os.path.join(os.environ["CCP4MG"],"data","elements.cif")) mmut.CMMUTSRS.LoadMonomerCache(CResources.SRS) return 0