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Add support for reading Desmond DTR (Anton) trajectories #796
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…omple properly without too much modification
…e the cpptraj versions for those
…fferent directory levels
…mes VMD writes mol2s without type names
This pull request introduces 1 alert when merging 9fc1266 into 40b4820 - view on LGTM.com new alerts:
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This pull request introduces 1 alert when merging 2243603 into 40b4820 - view on LGTM.com new alerts:
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This pull request introduces 2 alerts when merging 7db4d5f into 40b4820 - view on LGTM.com new alerts:
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uhm, not sure. I already exclude the parallel tests PS: I have never had this issue with pytraj on linux (either from travis or from my docker image). |
uhm, It's not a python version issue either. This PR run with python 3.
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Jenkins fail is a pytraj hang - merging. |
Makes use of the DTR plugin from VMD (used with permission) under the hood. Supports only reads at present, but does work in parallel. There is no test yet since the smallest DTR trajectory I have is ~4 GB - will have to add a test in the future.