Fluorescence-Tools / LabelLib

Library for coarse-grained simulations of probes flexibly coupled to biomolecules.
Mozilla Public License 2.0
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LabelLib fails #22

Closed Mattyboi123 closed 3 years ago

Mattyboi123 commented 3 years ago

Hello,

I have had a persistent problem with LabelLib. Upon running the code in pymol

_genAV('ins_sub_2_test0', '/ins_sub_2_test0//F/60/CB', allowed_sphere_radius=1.5, linker_diameter=4.5, linker_length=20.5)_

I get the following error

Traceback (most recent call last):
  File "C:\Users\fbsmawadmin\Anaconda3_\Lib\site-packages\LabelLib\FlexLabel\python\LabelLib_pymol.py", line 40, in genAV
    av1=ll.dyeDensityAV1(xyzRT.T,source,linker_length, linker_diameter, dye_radius, disc_step)
AttributeError: module 'LabelLib' has no attribute 'dyeDensityAV1'

might there be some python script or a line missing that defines the attribute dyeDensityAV1 ??

mdimura commented 3 years ago

I could not reproduce the error. Could you please try and run the example from the readme?

cmd.do('run ./LabelLib/FlexLabel/python/LabelLib_pymol.py')
cmd.fetch('1BNA')
genAV('1BNA', '/1BNA/B/B/19/C5', allowed_sphere_radius=1.5)

Which Pymol & LabelLib versions do you have?

Mattyboi123 commented 3 years ago

It was happening with one from late 2019 and still behaves the same way with the 2020_10_05 version. That version didn't fully install through pip, just th dist info folder so I downloaded the zip archive and copied the folder into my site packages directory.. might that be part of the problem?

On Sun, 10 Jan 2021, 16:35 Mykola Dimura, notifications@github.com wrote:

I could not reproduce the error. Could you please try and run the example from the readme?

cmd.do('run ./LabelLib/FlexLabel/python/LabelLib_pymol.py') cmd.fetch('1BNA') genAV('1BNA', '/1BNA/B/B/19/C5', allowed_sphere_radius=1.5)

What is your Pymol version? What is your LabelLib version?

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mdimura commented 3 years ago

Yes, copying the sources to the site-packages directory will not do it, unfortunately. What was the problem with pip? What's your OS/env?

Mattyboi123 commented 3 years ago

The package folder was not installed into my site packages folder,conly the dist info folder was installed

On Mon, 11 Jan 2021, 10:11 Mykola Dimura, notifications@github.com wrote:

Yes, copying the sources to the site-packages directory will not do it, unfortunately. What was the problem with pip?

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mdimura commented 3 years ago

What's your OS/env? Could you please provide the installation log?