How to empty current selection on chemdoodle

#How to empty current selection on chemdoodle software#

Start by selecting the structure you would like to copy as SMILES or InChI. The V3000 mol file has some extra features, but is not universally supported, so it is advised that you use V2000 mol format to ensure maximum interoperability.

#How to empty current selection on chemdoodle software#

If there is more than one option, please be aware that V2000 mol format is more common and is supported by all cheminformatics software packages. Please note: There may be more than one molfile format listed in the dropdown.

Select вЂњMDL MolfileвЂќ, вЂњMDL SDFileвЂќ, or вЂњ.molвЂќ or вЂњ.sdfвЂќ in the dropdown. They generally follow the same steps:Д¬hoose File > Save As from the top menu OR press Ctrl+Shift+S. Save as MOL fileДЄll major structure drawing packages can save structures as MOL files.

Including these files or identifiers in your article or supplementary information helps make your article indexable and structure-searchable, and is a great way to make your article stand out. If youвЂ™re already drawing a structure for an article you are preparing to submit, it only takes a few seconds to generate machine-readable mol filesВ or structure identifiers like SMILES or InChI. Interested in making your article more discoverable and usable? As a reader, you have probably spent a lot of time re-drawing structures from an image in a PDF, or have struggled to find all relevant articles because your compound of interest is called by different names in different articles (IUPAC name, trivial name, registry number, drug development ID, generic name, brand name, revised trivial name etc etc etcвЂ¦).