Looks like the error is coming from mapmask, not sfall. Probably my
determination of the axis order got broken somehow. Can you send me log
files/example input off list?
Cheers,
-James Holton
MAD Scientist
On 1/29/2020 8:37 AM, Schulz, Eike-Christian wrote:
Dear all,
Yesterday, I have updated to the most recent version of CCP4. Today
the END_RAPID scripts give me following error message:
[…]
Optimize H/D positions using phenix.geometry_minimization
phenix.geometry_minimization "/bla/refined.updated.pdb"
use_neutron_distances=False output_file_name_prefix=refined.updated
selection="element H or element D" write_geo_file=False
fix_rotamer_outliers=False silent=True correct_hydrogens=True
generating phenix models...
no solvent
sharp solvent
regular
making sfall map for vacuum level reference
mapmask: rcards - error in AXIS card
ERROR: unabel to run sfall
usage:
/opts/end.rapid/END_RAPID.com phenixrefine.eff
[…]
Was there any change that could lead to this error ?
Best,
Eike
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