GUI polarizability (atomic / molecular)

User a216001020

02-10-2006 12:31:59

Using the GUI MarvinSketch 4.1.0 for the calculation of polarizability, I first tick only atomic polarizability and get some values. If I then also tick 'molecular' and run again, some results for atoms are not the same as before. And after that, I can never again get the first values (which are those I get from the batch version). I send attached the molecule where I observed that.

MarvinSketch/Swing 4.1.0

JVM: Sun Microsystems Inc. Java 1.5.0_07

OS: x86 Windows XP 5.1

User 851ac690a0

03-10-2006 21:54:45


Thanks. This bug have been fixed.