On Feb 11, 2009, at 9:05 AM, Jeff Ellena wrote: > > I also get output that I don?t understand following > set noe [create_MarvinNOEPotential marv] > Does the following xplor output indicate that there is be a problem > with setting $noe? > TCL>set noe [create_MarvinNOEPotential marv] > _b06baf0000000000_p_rc_DerivedPotTMarvinNOEPotential_t
No, that's just the weird way SWIG returns a pointer value. It's fine. > > > The error message preceeding the premature exit of initMatch3dC.tcl > is: > > Neither -pot nor -shiftAssignments defined in call to > recordUnfoldedPositions Sorry for the unhelpful error message. The most likely cause is a problem in your readNMRSTARShiftTable or your createShiftAssignments calls, such that no shiftAssignments were produced. Try inserting a "puts $saRemarks" after the call to createShiftAssignments to see what's going on. -------------- next part -------------- An HTML attachment was scrubbed... URL: http://dcb.cit.nih.gov/pipermail/xplor-nih/attachments/20090212/832323a5/attachment.html
