Importing molfiles/SDF files

User f75381f251

05-10-2010 21:51:09

Hello,


 


I'm new to MarvinSketch and would like import molfiles or SDF. When I launch MarvinSketch (Mac), I get the GUI for drawing structures, but can't seem to find "Import" anywhere in the menus.


Also, I found this link, http://scfbio-iitd.res.in/utility/marvin/examples/applets/sketch/noliveconnect2.html, where I can copy my SDF there and see the structure. This is exactly what I want to do...but how can I do it on my computer and not through the web?


Thanks!


Porscha

ChemAxon 7c2d26e5cf

06-10-2010 12:45:24

The simplest way is the following:


Take a double click on the desired SD file. MarvinView will open it automatically. Select the cell that includes required compound that you would like to edit, then take a double click on it (or do a left mouse button and select Edit -> Structure from the popup menu). A MarvinSketch window will be detached by the viewer.


There are couple of other ways to load structure from file into MarvinSketch.


1. Drag the SD file into the canvas of the running MarvinSketch application. In this case the first structure in the SD file will be displayed.


2. Launch MarvinSketch from command line and give the desired SD file as command line parameter.


/Applications/ChemAxon/MarvinBeans/bin/msketch Desktop/Mols/mystructures.sdf

(msketch is the command line launcher of the MarvinSketch application).


3. Open the SD file in a text editor, select the source of desired compound from the stream, copy it to the clipboard, then launch MarvinSketch and paste the clipboard content.