Python库 | nanome-chemical-properties-0.2.0.tar.gz

# Nanome - Chemical Properties Displays chemical properties for selected complex using rdkit. ### Installation ```sh $ pip install nanome-chemical-properties ``` This plugin requires `rdkit` to be installed and in the `PATH` variable. Installation instructions for `rdkit` can be found [here](http://www.rdkit.org/docs/Install.html) ### Usage To start the plugin: ```sh $ nanome-chemical-properties -a plugin_server_address ``` #### Basic properties In Nanome: - Activate Plugin - Select Complex - Select Properties - View Results #### Snapshots `nanome-chemical-properties` now has a "snapshots" feature where you can take a snapshot of a complex to compare properties against other snapshots. Snapshots only persist while the plugin is active, so deactivating the plugin will lose the current snapshots. To create a snapshot, select a complex and press the "snapshot" button. To view a table comparison of your snapshots, press the "view snapshots" button. In the snapshots view: - Pressing "select properties" will allow you to toggle which columns you want to show. - Pressing a column header will switch through the sorting options for that column. Pressing it once will sort ascending, a second time will sort descending, and a third time will remove sorting on that column. - Pressing on a snapshot ID will bring up a side panel containing a 2D rendering of the snapshot, as well as the snapshot timestamp and options to rename, load, or delete the snapshot. - Pressing "export csv" will save the snapshot IDs, SMILES string, and properties to ~\Documents\nanome\snaphots on the computer running Nanome. ### License MIT