@@ -69,16 +69,16 @@ options.exp=options.exp.upper() if options.exp[0]=="H" and options.exp[3]=="A": hse=HSExposureCA(m, RADIUS) if options.exp[-1]=="D": - k='EXP_HSEAD' + k='EXP_HSE_A_D' else: - k='EXP_HSEAU' + k='EXP_HSE_A_U' elif options.exp[0]=="H" and options.exp[3]=="B": hse=HSExposureCB(m, RADIUS) #hse.write_pymol_script() if options.exp[-1]=="D": - k='EXP_HSEBD' + k='EXP_HSE_B_U' else: - k='EXP_HSEBU' + k='EXP_HSE_B_D' elif options.exp=="CN": hse=ExposureCN(m, RADIUS) k='EXP_CN' Scripts/Structure/hsexpo e23743b224beaddca7d190097f1a284660eab55f peterc peterc http://github.com/etal/biopython/commit/473c68a3ae295a14fcc45ae1374b8500373d8576 473c68a3ae295a14fcc45ae1374b8500373d8576 2009-02-12T04:14:47-08:00 2009-02-12T04:14:47-08:00 Using the actual xtra data keys introduced in Bio/PDB/HSExposure.py revision 1.16 (Biopython 1.41) for the CA exposure data. Problem reported on the mailing list 8f876ec0628cafaddb17978d7c1c038a67b0fe4c peterc peterc