AppleScript
multi_chemprops.scpt
Description:
This script takes as input a file containing SMILES strings and calculates a variety of chemical properties using ChemDraw.
Author's Email:
swain@mac.com
Author's Homepage:
http://www.macinchem.org/
Script File:
multi_chemprops.scpt.zip (9.17 KB)
ChemDraw to Tiff
Description:
Converts ChemDraw files to TIFF format for publication
Author's Email:
swain@mac.com
Author's Homepage:
www.macinchem.org
Script File:
Convert_ChemDraw_to_TIFF.zip (9.18 KB)
Get Selected Papers
Description:
This is an AppleScript designed to work with BibDesk. It gets the current selection of publications in the front document of BibDesk, and assuming each publication is associated to a local file, it duplicates each file to a "SelectedPapers" folder on the desktop of the current user. Handy for collecting in a folder all papers meeting certain search criteria.
Author's Email:
marco_coisson@mac.com
Author's Full Name:
Marco Coïsson
Author's Homepage:
http://homepage.mac.com/marco_coisson
Script File:
Get_Selected_Papers.scpt.zip (3.09 KB)
Checkmol table
Description:
I think this script actually shows one of the beauties of applescript the ability to link shellscripts, C programs and Pascal.
It requires both OpenBabel and Checkmol, instructions for compiling are on (http://www.macinchem.fsnet.co.uk/macosx.htm). Checkmol is a command-line utility program which reads molecular structure files in different formats and analyzes the input molecule for the presence of various functional groups and structural element. This script takes a multimolecular sdf file and feeds the molecules one by one to Checkmol and then creates a table of all the results.
Author's Email:
drc@macinchem.fsnet.co.uk
Author's Full Name:
Chris
Author's Homepage:
http://www.macinchem.fsnet.co.uk
Script File:
Checkmol_table.scpt.zip (7.14 KB)
Chemdraw to moe
Description:
An applescript for chemdraw, that sends a selected structure to moe (http://www.chemcomp.com/) and generates a 3D structure, needs to be stored in the Chemdraw folder with the other chemdraw scripts.
Author's Email:
drc@macinchem.fsnet.co.uk
Author's Full Name:
chris
Author's Homepage:
www.macinchem.fsnet.co.uk
Script File:
Send_to_moe.scpt.zip (2.9 KB)
