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A new macro for Microsoft Excel is now available thanks again to Dr. Laszlo JICSINSZKY who also wrote a short readme for it. This macro explores Visual Basic as an alternative to the Excel macros available through the HyperChem manuals. It creates a cage of solvent molecules /user's choice/ arranging them in a solvation box in a way similar to that implemented in HyperChem. The solute has to be brought manually into the box and subsequently relaxed in the solvation shell.
The HyperPucker.xlm macro, made available by Dr. Laszlo Jicsinszky, calculates Cremer-Pople ring puckering parameters in terms of amplitudes and phase angles of pseudorotation as described by Cremer and Pople, JACS 97, 1354-1358 (1975). This macro has been tested under Excel versions in MS Office 95 and MS Office 97.
Download HyperPucker.zip (332 kB)
PLOTA is an "international" version of the PLOT.XLM macro that is distributed with HyperChem. Different language versions of Excel use different symbols to select spreadsheet rows, columns, and cells; this modified macro asks Excel what symbols to use and stores them as text strings. The resulting macro is more flexible, but harder for a human to read.
Hyper_VBA is a VBA (Visual Basic for Applications) version of the PLOT.XML macro that is distributed with HyperChem. It was written by Laszlo Jicsinszky. This file is a workbook which contains the original worksheet and the translated macro.
Download Hyper_VBA.xls (32 kB)
PHIPSI is distributed as part of our ChemPlus enhancements package. It allows users to construct Ramachandran plots: energy as a function of two specified torsional angles. You will need to apply names to two torsional angles in your structure with Select/Name Selection before starting this macro. There are several options for restrained minimization, etc.
RIBOSEBB allows users to select the ribose groups as well as the phosphate backbone in a DNA/RNA system. This can give a more solid picture of the overall structure than just using Select Backbone.
NH2SELEC allows users to select all NH2 groups in the workspace. This involves some slightly messy checking for hydrogen bonding, NH3 groups, etc. It's probably more useful as an example of some macro programming techniques than it is practical for most people.
We intend to post more useful examples of Microsoft Excel Macros which can interface with HyperChem in this section of our Web Page. If you have a favourite macro that you'd be willing to share with others, please let us know -- write to support@hyper.com
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