Looks like this was a combination of new atom names, and using on older version of refmac. Thanks to Garib, a combination of using the new dictionaries and refmac 5.6 does the trick.
Pete Pete Meyer wrote: > Thanks for the quick reply. > > I got the noexit option for the ccp4-6.0.2 html, so you might have > already started adding it. > > I've had no luck with 5.2.0019 (ignores either keywords, stops with new > ligand message) and 5.4.0077 (ignores noexit, fatal error for continue). > I'll give it a try with the latest 5.5 version. > > Thanks again, > > Pete > > Garib Murshudov wrote: >> The keyword is >> >> make newligand continue >> >> (I need to add noexit option. It makes sense) >> >> regards >> Garib >> >> On 26 Oct 2008, at 22:10, Pete Meyer wrote: >> >>> Hi, >>> I'm attempting to use refmac to re-calculate a map from a published >>> structure. Most of the time, this works with no problems. >>> Occasionally, refmac stops with "New ligand has been encountered. >>> Stopping now". >>> >>> From the manual, I'd though that using MAKE NEWLIGAND NOEXIT should >>> prevent this, but that doesn't seem to be the case. >>> >>> Any suggestions for working around this? >>> >>> Pete >>> >> Garib Murshudov >> http://www.ysbl.york.ac.uk/YSBLPrograms/index.jsp >> Erice 2010: Structure and Function from Macromolecular >> Crystallography: Organization in Space and Time >> http://www.crystalerice.org/erice2010/2010.htm >> >> >> >> >> >>
