On 10/24/2016 04:39 PM, Peter S. Shenkin wrote: > Or is it > rather because chemists in your target audience will be thinking of the > first atom in, say, a structure from an sd file as atom #1?
That > 2. Regarding the last line, most of the RDKit code I've seen in past > examples displays the molecule using code like the following. When is it > necessary/not necessary to remove the "svg" string from the results of > GetDrawingText()? Not sure: it's a namespace, I'm assuming ipython can't deal with xml namespaces. Properly written programs should show it either way, unfortunately my target viewer is firefox (it's a web application and the user's default browser is firefox) and firefox isn't one of them. Without svg:'s it'll show the file as xml text instead of the image. HTH -- Dimitri Maziuk Programmer/sysadmin BioMagResBank, UW-Madison -- http://www.bmrb.wisc.edu
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