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simonbray
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Mar 25, 2025
| > 1. {% tool [Docking](toolshed.g2.bx.psu.edu/repos/bgruening/autodock_vina/docking/1.1.2+galaxy0) %} with the following parameters: | ||
| > - {% icon param-file %} *"Receptor"*: 'Protein PDBQT' file. | ||
| > 1. {% tool [VINA Docking](toolshed.g2.bx.psu.edu/repos/bgruening/autodock_vina/docking/1.1.2+galaxy0) %} with the following parameters: | ||
| > - {% icon param-file %} *"Receptor"*: 'Protein receptor' file. |
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| > - {% icon param-file %} *"Receptor"*: 'Protein receptor' file. | |
| > - {% icon param-file %} *"Receptor"*: 'Prepared receptor' file. |
To be consistent with the change above?
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Oh yes. My mistake. I meant the same - 'Prepared receptor'.
Thank you
Do we need to change the docking version from Galaxy version 1.1.2+galaxy0 to Galaxy Version 1.2.3+galaxy0 ?
shiltemann
reviewed
Mar 28, 2025
| @@ -321,7 +322,7 @@ It can be useful to visualize the compounds generated. There is a tool available | |||
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if you change ### Visualization above here to ## Visualization (one less #), then it should fix the linting error :)
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Ok. Let me try. Thank you soo much @shiltemann
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I could. Thank you again @shiltemann
Swathi266
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bgruening
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Mar 29, 2025
topics/computational-chemistry/tutorials/cheminformatics/tutorial.md
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…ial.md Co-authored-by: Björn Grüning <[email protected]>
…ial.md Co-authored-by: Björn Grüning <[email protected]>
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Thank you @bgruening for helping me. |
bgruening
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…ial.md Co-authored-by: Björn Grüning <[email protected]>
…ial.md Co-authored-by: Björn Grüning <[email protected]>
…ial.md Co-authored-by: Björn Grüning <[email protected]>
…ial.md Co-authored-by: Björn Grüning <[email protected]>
…ial.md Co-authored-by: Björn Grüning <[email protected]>
…ial.md Co-authored-by: Björn Grüning <[email protected]>
…ial.md Co-authored-by: Björn Grüning <[email protected]>
…ial.md Co-authored-by: Björn Grüning <[email protected]>
…ial.md Co-authored-by: Björn Grüning <[email protected]>
…ial.md Co-authored-by: Björn Grüning <[email protected]>
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Few edits in the tutorial https://training.galaxyproject.org/training-material/topics/computational-chemistry/tutorials/cheminformatics/tutorial.html