Added conformer generator example workflow #71
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Short workflow to generate conformers, give some analysis and superimpose results.
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| This is a short script to generate conformers with some rudimentary analysis for a single molecule. | ||
| There are also options to overlay the results to view in Hermes. | ||
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| ### Example output showing what the user can expect to see: |
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[markdownlint] reported by reviewdog 🐶
MD001/heading-increment Heading levels should only increment by one level at a time [Expected: h2; Actual: h3]
| This is a short script to generate conformers with some rudimentary analysis for a single molecule. | ||
| There are also options to overlay the results to view in Hermes. | ||
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| ### Example output showing what the user can expect to see: |
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[markdownlint] reported by reviewdog 🐶
MD026/no-trailing-punctuation Trailing punctuation in heading [Punctuation: ':']
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| Author: Chris Ringrose - 22/11/24 | ||
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| For feedback or to report any issues please contact [email protected] |
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[markdownlint] reported by reviewdog 🐶
MD046/code-block-style Code block style [Expected: fenced; Actual: indented]
| This is a short script to generate conformers with some rudimentary analysis for a single molecule. | ||
| There are also options to overlay the results to view in Hermes. | ||
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| ### Example output showing what the user can expect to see: |
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[markdownlint-fix] reported by reviewdog 🐶
Suggested change
| ### Example output showing what the user can expect to see: | |
| ### Example output showing what the user can expect to see |
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Short workflow to generate conformers, give some analysis and superimpose results.