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giorginolab / vmd_diffusion_coefficient

Computing Diffusion Coefficients in Macromolecular Simulations: The Diffusion Coefficient Tool for VMD
https://doi.org/10.21105/joss.01698
BSD 3-Clause "New" or "Revised" License
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Auto_path variable issue #4

Closed jrperilla closed 4 years ago

jrperilla commented 4 years ago

When installing the plugin, the authors note (in the README of the doc/ subdirectory of the Git repository specified in the JOSS manuscript) several methods to integrate their plugin into the VMD startup routine. I opted to append the plugin location to the auto_path variable. However, when this is done, an error is thrown to stdout by VMD upon startup. While this did not hamper the functionality of the method, both in command-line or GUI usage (including registering the plugin in the Extensions menu), it indicates a bad interface with the VMD startup script/routines and the problem should be amended. An identical error is also thrown for VMD for Windows 10, which makes sense since Tcl/Tk-only plugins are architecture-independent.

jrperilla commented 4 years ago

image

tonigi commented 4 years ago

The script used a trick in pkgIndex.tcl to register itself with VMD; it was supposed to enable loading by merely setting TCLLIBPATH. However this did not work in all situations (as in your case). I rolled back the install instructions to a more standard "append auto_path / package require / vmd register" sequence, now in load.tcl. b93901dc72982373faecea357fb85b428d736d24