Hi all,
I'm seeing some odd behavior with mask when searching for ions around a residue- specifically, when I try to search for Na+ ions around one residue with the command
mask "(:11.CD<:5.5)&:Na+" maskout maskout_E11-Na+.dat
The output looks like it's searching for Na+ to Na+ instead of the specified residue to Na+?
#Frame AtomNum Atom ResNum Res MolNum
8 3269 Na+ 210 Na+ 63
17 3243 Na+ 184 Na+ 37
18 3243 Na+ 184 Na+ 37
19 3243 Na+ 184 Na+ 37
35 3223 Na+ 164 Na+ 17
Trying a variation of the command by just picking up on anything that isn't protein within a 5.5 radius-
mask "(:11.CD<:5.5)&!:1-104" maskout maskout_E11-Na+.dat
Seems to reproduce the exact same results, so I'm not sure if it's actually working as intended, or a bug?
Best,
Kenneth
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Received on Wed Jul 18 2018 - 11:00:02 PDT
