Updated Dockerfile #48
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Updating to latest master
Updated MetFrag files to remove bad elements causing formula errors. Tested with MetFragCL and should work. Issues posted: see ipb-halle#47 and ipb-halle#46
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Updated MetFrag files to remove bad elements causing formula errors. Tested with MetFragCL and should work. Issues posted: see #47 and #46
Plus merge commit (should not have changed anything).