Created
March 17, 2013 14:50
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A python script created to allow easy parsing of DSSP files.
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| # http://openwetware.org/wiki/Wilke:ParseDSSP | |
| import re | |
| class DSSPData: | |
| def __init__(self): | |
| self.num = [] | |
| self.resnum = [] | |
| self.moltyp = [] | |
| self.aa = [] | |
| self.struct = [] | |
| self.bp1 = [] | |
| self.bp2 = [] | |
| self.acc = [] | |
| self.h_nho1 = [] | |
| self.h_ohn1 = [] | |
| self.h_nho2 = [] | |
| self.h_ohn2 = [] | |
| self.tco = [] | |
| self.kappa = [] | |
| self.alpha = [] | |
| self.phi = [] | |
| self.psi = [] | |
| self.xca = [] | |
| self.yca = [] | |
| self.zca = [] | |
| def parseDSSP(self, file): | |
| input_handle = open(file, 'r') | |
| line_num = 0 | |
| start=False | |
| for line in input_handle: | |
| if( re.search('#', line) ): | |
| start=True | |
| continue | |
| if( start ): | |
| self.num.append( line[0:5].strip() ) | |
| self.resnum.append( line[5:10].strip() ) | |
| self.moltyp.append( line[10:12].strip() ) | |
| self.aa.append( line[12:14].strip() ) | |
| self.struct.append( line[14:25] ) | |
| self.bp1.append( line[25:29].strip() ) | |
| self.bp2.append( line[29:34].strip() ) | |
| self.acc.append( line[34:38].strip() ) | |
| self.h_nho1.append( line[38:50].strip() ) | |
| self.h_ohn1.append( line[50:61].strip() ) | |
| self.h_nho2.append( line[61:72].strip() ) | |
| self.h_ohn2.append( line[72:83].strip() ) | |
| self.tco.append( line[83:91].strip() ) | |
| self.kappa.append( line[91:97].strip() ) | |
| self.alpha.append( line[97:103].strip() ) | |
| self.phi.append( line[103:109].strip() ) | |
| self.psi.append( line[109:115].strip() ) | |
| self.xca.append( line[115:122].strip() ) | |
| self.yca.append( line[122:129].strip() ) | |
| self.zca.append( line[129:136].strip() ) | |
| def getResnums(self): | |
| return self.resnum | |
| def getChainType(self): | |
| return self.moltyp | |
| def getAAs(self): | |
| return self.aa | |
| def getSecStruc(self): | |
| return self.struct | |
| def getBP1(self): | |
| return self.bp1 | |
| def getBP2(self): | |
| return self.bp2 | |
| def getACC(self): | |
| return self.acc | |
| def getH_NHO1(self): | |
| return self.h_nho1 | |
| def getH_NHO2(self): | |
| return self.h_nho2 | |
| def getH_OHN1(self): | |
| return self.h_ohn1 | |
| def getH_OHN2(self): | |
| return self.h_ohn2 | |
| def getTCO(self): | |
| return self.tco | |
| def getKAPPA(self): | |
| return self.kappa | |
| def getALPHA(self): | |
| return self.alpha | |
| def getPHI(self): | |
| return self.phi | |
| def getPSI(self): | |
| return self.psi | |
| def getX(self): | |
| return self.xca | |
| def getY(self): | |
| return self.yca | |
| def getZ(self): | |
| return self.zca |
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