Hi Mark-- > I tried incorporating the .psf file (below), but still get an error. > > ... > > [TomCatVI:ZF53/Cyana2Xplor_Zn_auto_20231103_9/ensemble] markkelly% > /Applications/xplor-nih-3.5/bin/ens2pdb -psf refine_Zn.psf wrefine_Zn_cs_*.sa > > toSubmit.pdb > File "/Applications/xplor-nih-3.5/bin/ens2pdb", line 174, in <module> > Exception: too many unreadable ATOM entries: 1853 >
This indicates that the .sa files do not match the PSF. This is likely due to a chain/segid or resid mismatch. If you send me (not to the list) a .sa and .psf file, I can better tell what's going on. thanks-- Charles ######################################################################## To unsubscribe from the XPLOR-NIH list, click the following link: http://list.nih.gov/cgi-bin/wa.exe?SUBED1=XPLOR-NIH&A=1
