Download compound structures: Difference between revisions
From docs
Docs admin (talk | contribs) mNo edit summary |
Docs admin (talk | contribs) No edit summary |
||
| Line 1: | Line 1: | ||
# Go to '''Sample Libraries > Compounds > Search Compounds''' and click the ‘List Entry’ link. | # Go to '''Sample Libraries > Compounds > Search Compounds''' and click the ‘List Entry’ link.<br><br> | ||
# Paste the list of compounds for which you need activity data. Click the ‘Search’ button. | # Paste the list of compounds for which you need activity data. Click the ‘Search’ button.<br><br> | ||
# MScreen displays the search results and orders the results by the compound IDs in a numerically ascending fashion. | # MScreen displays the search results and orders the results by the compound IDs in a numerically ascending fashion.<br><br> | ||
# To download the structures, click the export icon. This brings up a new window to download the structures in either an SD file or in a csv file that would include the structures in SMILES format. Select the format you want and hit the ‘Submit’ button. | # To download the structures, click the export icon. This brings up a new window to download the structures in either an SD file or in a csv file that would include the structures in SMILES format. Select the format you want and hit the ‘Submit’ button. | ||
#*Tip: Files exceeding 500 entries can only be downloaded in csv format'''<br><br> | |||
# To view the structure in SDF format, you need to have a structure viewing software installed on your machine such as Chemaxon’s MarvinView or Open Molecule’s DataWarrior. | # To view the structure in SDF format, you need to have a structure viewing software installed on your machine such as Chemaxon’s MarvinView or Open Molecule’s DataWarrior. | ||
Latest revision as of 19:43, 26 September 2024
- Go to Sample Libraries > Compounds > Search Compounds and click the ‘List Entry’ link.
- Paste the list of compounds for which you need activity data. Click the ‘Search’ button.
- MScreen displays the search results and orders the results by the compound IDs in a numerically ascending fashion.
- To download the structures, click the export icon. This brings up a new window to download the structures in either an SD file or in a csv file that would include the structures in SMILES format. Select the format you want and hit the ‘Submit’ button.
- Tip: Files exceeding 500 entries can only be downloaded in csv format
- Tip: Files exceeding 500 entries can only be downloaded in csv format
- To view the structure in SDF format, you need to have a structure viewing software installed on your machine such as Chemaxon’s MarvinView or Open Molecule’s DataWarrior.
