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jvermaas / LigninBuilder

VMD Plugin and associated scripts to build lignin structures from topological specifications
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["env(LIGNINBUILDERDIR)": no such variable] #9

Open LIGarba96 opened 1 year ago

LIGarba96 commented 1 year ago

Dear Josh,

Many thanks for sharing this comprehensive and insteresting code.

I would like to ask you about an error I'm facing when trying to create lignin molecules from the given libraries. The LigninBuilder package seems to be correctly installed, as VMD plugin (as I'm getting the version after the dedicated command). However, after executing the next command (i.e. ::ligninbuilder::buildfromlibrary "/home/user/LigninBuilder/libraries/Miscanthus Library.txt" Miscanthus) an error shows up regarding one of the environmental variables: "can't read "env(LIGNINBUILDERDIR)": no such variable".

Hence, I was wondering if you could help me to understand this and how to solve it. Just in case it is related, I am working on Windows. Many thanks again and I appreciate your time and support!

Kind regards

jvermaas commented 1 year ago

Hi, I'm betting this is a windows issue, as I never was able to test LigninBuilder on Windows. The environment variable is usually set by pkgIndex.tcl. (https://github.com/jvermaas/LigninBuilder/blob/master/LigninBuilderPlugin/pkgIndex.tcl) The important line is this one:

set env(LIGNINBUILDERDIR) {some/directory/path/goes/here}

If you know what folder you installed ligninbuilder into, you would set that variable before building the library.

LIGarba96 commented 1 year ago

Hi Josh,

Indeed, after running LigninBuilder in a Linux environment the code ran smoothly. Anyways, I tested the code in Windows by setting the directory path as you mentioned and it worked as well. Many thanks for your help!

Kind regards!