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Releases: duerrsimon/substrate-scope-plot

v0.4

30 Jan 10:39
@duerrsimon duerrsimon
v0.4
9de0b4c
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v0.4 Latest
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add environment.yml and mybinder links

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v0.3

07 Jan 14:36
@duerrsimon duerrsimon
v0.3
03ea7d3
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v0.3

v0.3 | 30.12.2019

bug fixes to the colorbar and addition of min_max_value for colorbar

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v0.2

23 Dec 13:06
@duerrsimon duerrsimon
0.2
4d5951d
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v0.2

v0.2 release that contains most functionality that will be useful to automate this as much as possible.
Unfortunately, for large organic groups the user most likely will need to edit groups in a software for inkscape but its hard to correctly replace the labels with appropriately sized svg images.

Changelog:

  • put all the plotting in a class that is called from the notebook
  • multiple radial scope plots possible
  • correct automatic positioning based on the index of the atom from the SMILES
    addition of rendering of small organic rests (hacky, the user will need to reposition the images using a vector software)
    -added some options such as
    rounding options, bw atom theme, bold font, rounding based on threshold value
    text becomes white at 80% of max value
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