SimTK: OpenMM Zephyr: [#865] better error message when atoms are missing

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Date:
2009-07-14 15:16

Priority:
3

State:
Open

Submitted by:
Charles Janac (cjanac)

Assigned to:
Christopher Bruns (cmbruns)

Summary:
better error message when atoms are missing

Detailed description
"ATOM CG not found in residue NASP1 while adding hydrogens" (within pdb file 2RH1) is an error message describing a missing atom line in the input pdb file. The feature will parse the zephyr log for this error message and will display a more informative error message to the user.
"ATOM CG not found in residue NASP1 while adding hydrogens" (within pdb file 2RH1) is an error message describing a missing atom line in the input pdb file. The feature will parse the zephyr log for this error message and will display a more informative error message to the user.

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SimTK is maintained through Grant R01GM124443 01A1 from the National Institutes of Health (NIH). It was initially developed as part of the Simbios project funded by the NIH as part of the NIH Roadmap for Medical Research, Grant U54 GM072970.

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