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Fix examples in README, update version to 1.2.2
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DrrDom committed Apr 12, 2023
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13 changes: 8 additions & 5 deletions README.md
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Expand Up @@ -24,15 +24,15 @@ This version calculates only 2D descriptors.

#### Usage
Returns 2D simplex descriptors with vertexes labeled by element for single compounds
`sirms.py -in input.sdf -o output.txt`
`sirms -in input.sdf -o output.txt`
Returns 2D simplex descriptors with vertexes labeled by element for reactions
`sirms.py -in input.rdf -o output.txt`
`sirms -in input.rdf -o output.txt`

#### Help

`sirms.py -h`
`sirms -h`

####Wiki
#### Wiki

See wiki pages for more information and examples - https://github.com/DrrDom/sirms/wiki.

Expand Down Expand Up @@ -65,4 +65,7 @@ version 1.2.0 (06.02.2021)
- reorganized as a Python package

version 1.2.1 (08.02.2021)
- fix README formatting
- fix README formatting

version 1.2.2 (12.04.2023)
- fix examples in README
2 changes: 1 addition & 1 deletion sirms/__init__.py
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@@ -1 +1 @@
__version__ = '1.2.1'
__version__ = '1.2.2'

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