Macs in Chemistry

Insanely Great Science

ChemDraw and Word compound numbering on Mac

A while back I got this question

”I’m about to hit the tedious part of writing my chemistry PhD thesis in Microsoft Word: having all mentioned compounds numbered in text and in the chemdraw imported files. My question: is there any automated option for this task or do I have to insert every number manually? In particular renumbering after adding a new compound in the middle of the text”

There are a couple of ways to do this in LaTex (http://www.jkwchui.com/2010/03/writing-chemistry-with-latex-33/) and (http://piti.exroot.org/konwerter/) but in my experience LaTex is not particularly popular among chemists. However help is at hand, I’ve just been sent details of a brilliant applescript that works with ChemBioDraw and Word.

The process is described in detail here (http://www.martinp23.com/blog/2013/03/chemdraw-and-word-compound-numbering-on-mac/) so I won’t give anymore details just to add that one thing I’ve been using in recent Chemdraw scripts is

tell application id "com.cambridgesoft.ChemDraw"

It avoids the problems with application naming with different versions of Chem(Bio)Draw Std/Pro/Ultra.

There are many more applescripts here.



Comments

Copy file to Dropbox and email link

A while back I posted a script that copied a file to a users MobilMe Public folder and created an email link to that file. With the imminent demise of MobileMe a couple of people have asked me for a script that does the same but uses Dropbox.

This script shows how to copy a file to your Dropbox Public folder and then email a link to it.

Comments

Script to email Chemical Structures

A reader commented that they often emailed ChemBioDraw .cdx structures to colleagues who it turned out did not have a copy of ChemBioDraw to view them, whilst it is possible to convert the cdx file to other formats using OpenBabel they usually just ended up exchanging an image. They asked if there was a better solution and this is an ideal task for Applescript. This script assumes the structure you want to email is open in ChemBioDraw, it will create an email using Apple Mail containing the structure as a SMILES string, and embed the .cdx file together with an image in PNG format.

Comments

Scripting the Chemical Identifier Resolver

The name to structure feature in ChemBioDraw is very useful but is pretty much limited to systematic names and certainly does not support other chemical identifiers like CAS Numbers. There are a number of online services that do support these sort of functions but you end up having to cut and paste from different web sites. This is where the Chemical Identifier Resolver script comes into play.

Comments

Scripting ChemBioDraw

A script to convert .cdx to .png file format Read More...
Comments

ChemBioDraw 12.0.2

ChemBioDraw 12.0.2
CambridgeSoft have released an update for the Mac version of ChemBioDraw

Read More...
Comments

Roundtrip editing

It looks like there is light at the end of the tunnel with regard to the issue of “round trip editing”. Read More...
Comments

ChemBioDraw Roundtrip Editing

Yet more on the continuing saga of round trip editing using ChemBioDraw. Read More...
Comments

ChemBioDraw Round Trip Ediiting

Workaround for ChemBioDraw roundtrip editing issues. Read More...
Comments

eMolecules Applescript

Applescript to search eMolecules Read More...
Comments

ChemDraw and dialog boxes

The upgrade to Mac OS X 10.6 (Snow Leopard) has caused a number of problems for ChemBioDraw (aka ChemDraw) users. One particular problem is the upgrade appears to have broken the ability to enter text into dialog boxes. Whilst this has been fixed in an update to version 12 of ChemBioDraw Cambridgesoft seem reluctant to provide an update for earlier versions of the software, suggesting instead that users should upgrade.

Unfortunately I don’t have ChemBiodraw 11 (or earlier versions) so I can’t explore the problem but perhaps it might be possible to offer a work around using Applescript.
Read More...
Comments

ChemBioDraw Update

ChemBioDraw Update from CambridgeSoft. Read More...
Comments

Please complain

A list of issues using ChemBioDraw 12 under Mac OS X, please use the link to the forum to register your concern. Read More...
Comments

ChemBioDraw 12 Review

Review of ChemBioDraw 12. Read More...
Comments

Tip for improving ChemBioDraw printing

I was sent this tip for improving the quality of printing from ChemBioDraw. Read More...
Comments

Using HotKeys in ChemBioDraw

Tips and tricks for using hotKeys in ChemBioDraw Read More...
Comments

ChemBioDraw Updated

ChemBioDraw has been updated to support Mac OS X 10.5. Read More...
Comments

More ChemDraw issues

Problems with Word 2008 and ChemBioDraw. Read More...
Comments

Applescript Tutorial 9

Embedding chemical metadata into image files. Read More...
Comments

Applescript tutorial 8

Getting chemical structure embedded in images. Read More...
Comments

Chemdraw Plugin

Issues with Chemdraw plugin. Read More...
Comments

A Review of the latest version of ChemBioDraw

I've written a review of the latest version of ChemBioDraw (AKA ChemDraw) Read More...
Comments