> use the SetFactor method with different values and I found out that > constraints were more likely to be respected completely (the processing time > also increases) if I used SetFactor with a high value before adding any > constraints. Can anybody explain to me if this is correct?
Yes, that's correct. Basically the SetFactor method sets the penalty for breaking the constraint. In most chemical cases, it's OK if something goes from 1.0 Angstroms to 1.0003, but your application may demand it. Hope that helps, -Geoff ------------------------------------------------------------------------------ Simplify data backup and recovery for your virtual environment with vRanger. Installation's a snap, and flexible recovery options mean your data is safe, secure and there when you need it. Discover what all the cheering's about. Get your free trial download today. http://p.sf.net/sfu/quest-dev2dev2 _______________________________________________ OpenBabel-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
