load 1lcd.pdb restrict within(5.0, atomno=1030) write hoh5.pdb zap load hoh5.pdb calculate hbonds # CRASH
----------------- hoh5.pdb contains 5 waters with hydrogens, plus one stray hydrogen not bonded to anything. Removing this stray hydrogen allows "calculate hbonds" to work without crashing Jmol. -Eric ------------------------------------------------------------------------------ Start uncovering the many advantages of virtual appliances and start using them to simplify application deployment and accelerate your shift to cloud computing. http://p.sf.net/sfu/novell-sfdev2dev _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
