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How to set the path for ProDy in VMD #1898

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kiran923 opened this issue May 13, 2024 · 2 comments
Open

How to set the path for ProDy in VMD #1898

kiran923 opened this issue May 13, 2024 · 2 comments

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@kiran923
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how to set the path for ProDy in VMD
error

usage: prody.exe [-h] [-c] [-v]
{anm,gnm,pca,eda,align,blast,biomol,catdcd,contacts,fetch,select,energy,clustenm}
...
prody.exe: error: argument {anm,gnm,pca,eda,align,blast,biomol,catdcd,contacts,fetch,select,energy,clustenm}: invalid choice: 'C:/Users/DST-SERB/AppData/Local/Programs/Python/Python310/Scripts/prody.exe' (choose from 'anm', 'gnm', 'pca', 'eda', 'align', 'blast', 'biomol', 'catdcd', 'contacts', 'fetch', 'select', 'energy', 'clustenm')
usage: prody.exe [-h] [-c] [-v]
{anm,gnm,pca,eda,align,blast,biomol,catdcd,contacts,fetch,select,energy,clustenm}
...
prody.exe: error: argument {anm,gnm,pca,eda,align,blast,biomol,catdcd,contacts,fetch,select,energy,clustenm}: invalid choice: 'C:/Users/DST-SERB/AppData/Local/Programs/Python/Python310/Scripts/prody.exe' (choose from 'anm', 'gnm', 'pca', 'eda', 'align', 'blast', 'biomol', 'catdcd', 'contacts', 'fetch', 'select', 'energy', 'clustenm')
while executing
"exec $::NMWiz::pybin $::NMWiz::prody anm --quiet -s $selstr {*}$args "$pdbfn""
(procedure "::NMWiz::prodySubmitANMjob" line 42)
invoked from within
"::NMWiz::prodySubmitANMjob"
(procedure "::NMWiz::prodySubmitJob" line 22)
invoked from within
"::NMWiz::prodySubmitJob"
invoked from within
".nmwizprody.submitFrame.prodySubmit invoke"
("uplevel" body line 1)
invoked from within
"uplevel #0 [list $w invoke]"
(procedure "tk::ButtonUp" line 24)
invoked from within
"tk::ButtonUp .nmwizprody.submitFrame.prodySubmit"
(command bound to event)

@jamesmkrieger
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VMD has clearly found ProDy as it is complaining about the usage instead of asking you to set the path

We can't help you if you don't give us more details about what you were trying to do

@atbogetti atbogetti reopened this May 23, 2024
@atbogetti
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Hello @kiran923, please provide more details about your workflow with ProDy in VMD so that we can be of assistance. We are happy to help. If your issue is resolved, please let us know as well. Thanks.

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3 participants