from olexFunctions import OV def get_ntail_list(): # for tailor made residues in ELMOdb tail = OV.GetParam('snum.NoSpherA2.ELMOdb.tail') if tail == True: ntail_list = ['1',] maxtail = OV.GetParam('snum.NoSpherA2.ELMOdb.maxtail') if maxtail == 1: ntail_list_str = "1;" else: for n in range(1,maxtail): ntail_list.append(str(n+1)) ntail_list_str = ';'.join(ntail_list) return ntail_list_str OV.registerFunction(get_ntail_list,False,'NoSpherA2') def get_resname(): tail = OV.GetParam('snum.NoSpherA2.ELMOdb.tail') if tail == True: resnames = OV.GetParam('snum.NoSpherA2.ELMOdb.str_resname') resnames = resnames.split(';') maxtail = OV.GetParam('snum.NoSpherA2.ELMOdb.maxtail') if len(resnames) < maxtail: diff = maxtail - len(resnames) for i in range(diff): resnames.append('???') ntail = OV.GetParam('snum.NoSpherA2.ELMOdb.ntail') n = ntail - 1 return resnames[n] OV.registerFunction(get_resname,False,'NoSpherA2') def get_nat(): tail = OV.GetParam('snum.NoSpherA2.ELMOdb.tail') if tail == True: nat = OV.GetParam('snum.NoSpherA2.ELMOdb.str_nat') nat = nat.split(';') maxtail = OV.GetParam('snum.NoSpherA2.ELMOdb.maxtail') if len(nat) < maxtail: diff = maxtail - len(nat) for i in range(diff): nat.append('0') ntail = OV.GetParam('snum.NoSpherA2.ELMOdb.ntail') n = ntail - 1 return nat[n] OV.registerFunction(get_nat,False,'NoSpherA2') def get_nfrag(): tail = OV.GetParam('snum.NoSpherA2.ELMOdb.tail') if tail == True: nfrag = OV.GetParam('snum.NoSpherA2.ELMOdb.str_nfrag') nfrag = nfrag.split(';') maxtail = OV.GetParam('snum.NoSpherA2.ELMOdb.maxtail') if len(nfrag) < maxtail: diff = maxtail - len(nfrag) for i in range(diff): nfrag.append('1') ntail = OV.GetParam('snum.NoSpherA2.ELMOdb.ntail') n = ntail - 1 return nfrag[n] OV.registerFunction(get_nfrag,False,'NoSpherA2') def get_ncltd(): tail = OV.GetParam('snum.NoSpherA2.ELMOdb.tail') if tail == True: ncltd = OV.GetParam('snum.NoSpherA2.ELMOdb.str_ncltd') ncltd = ncltd.split(';') maxtail = OV.GetParam('snum.NoSpherA2.ELMOdb.maxtail') if len(ncltd) < maxtail: diff = maxtail - len(ncltd) for i in range(diff): ncltd.append(False) ntail = OV.GetParam('snum.NoSpherA2.ELMOdb.ntail') n = ntail - 1 return ncltd[n] OV.registerFunction(get_ncltd,False,'NoSpherA2') def get_specac(): tail = OV.GetParam('snum.NoSpherA2.ELMOdb.tail') if tail == True: specac = OV.GetParam('snum.NoSpherA2.ELMOdb.str_specac') specac = specac.split(';') maxtail = OV.GetParam('snum.NoSpherA2.ELMOdb.maxtail') if len(specac) < maxtail: diff = maxtail - len(specac) for i in range(diff): specac.append(False) ntail = OV.GetParam('snum.NoSpherA2.ELMOdb.ntail') n = ntail - 1 return specac[n] OV.registerFunction(get_specac,False,'NoSpherA2') def get_exbsinp(): tail = OV.GetParam('snum.NoSpherA2.ELMOdb.tail') if tail == True: exbsinp = OV.GetParam('snum.NoSpherA2.ELMOdb.str_exbsinp') exbsinp = exbsinp.split(';') maxtail = OV.GetParam('snum.NoSpherA2.ELMOdb.maxtail') if len(exbsinp) < maxtail: diff = maxtail - len(exbsinp) for i in range(diff): exbsinp.append('') ntail = OV.GetParam('snum.NoSpherA2.ELMOdb.ntail') n = ntail - 1 return exbsinp[n] OV.registerFunction(get_exbsinp,False,'NoSpherA2') def get_fraginp(): tail = OV.GetParam('snum.NoSpherA2.ELMOdb.tail') if tail == True: fraginp = OV.GetParam('snum.NoSpherA2.ELMOdb.str_fraginp') fraginp = fraginp.split(';') maxtail = OV.GetParam('snum.NoSpherA2.ELMOdb.maxtail') if len(fraginp) < maxtail: diff = maxtail - len(fraginp) for i in range(diff): fraginp.append('0') ntail = OV.GetParam('snum.NoSpherA2.ELMOdb.ntail') n = ntail - 1 return fraginp[n] OV.registerFunction(get_fraginp,False,'NoSpherA2') def change_resname(input): tail = OV.GetParam('snum.NoSpherA2.ELMOdb.tail') if tail == True: resnames = OV.GetParam('snum.NoSpherA2.ELMOdb.str_resname') resnames = resnames.split(';') maxtail = OV.GetParam('snum.NoSpherA2.ELMOdb.maxtail') if len(resnames) < maxtail: diff = maxtail - len(resnames) for i in range(diff): resnames.append([]) ntail = OV.GetParam('snum.NoSpherA2.ELMOdb.ntail') n = ntail - 1 resnames[n] = input str_resname = resnames str_resname = ";".join([str(i) for i in resnames]) OV.SetParam('snum.NoSpherA2.ELMOdb.str_resname', str_resname) return resnames[n] OV.registerFunction(change_resname,False,'NoSpherA2') def change_nat(input): tail = OV.GetParam('snum.NoSpherA2.ELMOdb.tail') if tail == True: nat = OV.GetParam('snum.NoSpherA2.ELMOdb.str_nat') nat = nat.split(';') maxtail = OV.GetParam('snum.NoSpherA2.ELMOdb.maxtail') if len(nat) < maxtail: diff = maxtail - len(nat) for i in range(diff): nat.append(0) ntail = OV.GetParam('snum.NoSpherA2.ELMOdb.ntail') n = ntail - 1 nat[n] = input str_nat = nat str_nat = ";".join([str(i) for i in nat]) OV.SetParam('snum.NoSpherA2.ELMOdb.str_nat', str_nat) return nat[n] OV.registerFunction(change_nat,False,'NoSpherA2') def change_nfrag(input): tail = OV.GetParam('snum.NoSpherA2.ELMOdb.tail') if tail == True: nfrag = OV.GetParam('snum.NoSpherA2.ELMOdb.str_nfrag') nfrag = nfrag.split(';') maxtail = OV.GetParam('snum.NoSpherA2.ELMOdb.maxtail') if len(nfrag) < maxtail: diff = maxtail - len(nfrag) for i in range(diff): nfrag.append(1) ntail = OV.GetParam('snum.NoSpherA2.ELMOdb.ntail') n = ntail - 1 nfrag[n] = input str_nfrag = nfrag str_nfrag = ";".join([str(i) for i in nfrag]) OV.SetParam('snum.NoSpherA2.ELMOdb.str_nfrag', str_nfrag) return nfrag[n] OV.registerFunction(change_nfrag,False,'NoSpherA2') def change_ncltd(input): tail = OV.GetParam('snum.NoSpherA2.ELMOdb.tail') if tail == True: ncltd = OV.GetParam('snum.NoSpherA2.ELMOdb.str_ncltd') ncltd = ncltd.split(';') maxtail = OV.GetParam('snum.NoSpherA2.ELMOdb.maxtail') if len(ncltd) < maxtail: diff = maxtail - len(ncltd) for i in range(diff): ncltd.append(False) ntail = OV.GetParam('snum.NoSpherA2.ELMOdb.ntail') n = ntail - 1 ncltd[n] = input str_ncltd = ncltd str_ncltd = ";".join([str(i) for i in ncltd]) OV.SetParam('snum.NoSpherA2.ELMOdb.str_ncltd', str_ncltd) return ncltd[n] OV.registerFunction(change_ncltd,False,'NoSpherA2') def change_specac(input): tail = OV.GetParam('snum.NoSpherA2.ELMOdb.tail') if tail == True: specac = OV.GetParam('snum.NoSpherA2.ELMOdb.str_specac') specac = specac.split(';') maxtail = OV.GetParam('snum.NoSpherA2.ELMOdb.maxtail') if len(specac) < maxtail: diff = maxtail - len(specac) for i in range(diff): specac.append(False) ntail = OV.GetParam('snum.NoSpherA2.ELMOdb.ntail') n = ntail - 1 specac[n] = input str_specac = specac str_specac = ";".join([str(i) for i in specac]) OV.SetParam('snum.NoSpherA2.ELMOdb.str_specac', str_specac) return specac[n] OV.registerFunction(change_specac,False,'NoSpherA2') def change_exbsinp(input): tail = OV.GetParam('snum.NoSpherA2.ELMOdb.tail') if tail == True: exbsinp = OV.GetParam('snum.NoSpherA2.ELMOdb.str_exbsinp') exbsinp = exbsinp.split(';') maxtail = OV.GetParam('snum.NoSpherA2.ELMOdb.maxtail') if len(exbsinp) < maxtail: diff = maxtail - len(exbsinp) for i in range(diff): exbsinp.append(0) ntail = OV.GetParam('snum.NoSpherA2.ELMOdb.ntail') n = ntail - 1 exbsinp[n] = input str_exbsinp = exbsinp str_exbsinp = ";".join([str(i) for i in exbsinp]) OV.SetParam('snum.NoSpherA2.ELMOdb.str_exbsinp', str_exbsinp) return exbsinp[n] OV.registerFunction(change_exbsinp,False,'NoSpherA2') def change_fraginp(input): tail = OV.GetParam('snum.NoSpherA2.ELMOdb.tail') if tail == True: fraginp = OV.GetParam('snum.NoSpherA2.ELMOdb.str_fraginp') fraginp = fraginp.split(';') maxtail = OV.GetParam('snum.NoSpherA2.ELMOdb.maxtail') if len(fraginp) < maxtail: diff = maxtail - len(fraginp) for i in range(diff): fraginp.append(0) ntail = OV.GetParam('snum.NoSpherA2.ELMOdb.ntail') n = ntail - 1 fraginp[n] = input str_fraginp = fraginp str_fraginp = ";".join([str(i) for i in fraginp]) OV.SetParam('snum.NoSpherA2.ELMOdb.str_fraginp', str_fraginp) return fraginp[n] OV.registerFunction(change_fraginp,False,'NoSpherA2')