How to create a script file in Chemscript

Chemscript is a chemical informatics software Development Kit (SDK) that contains programming algorithms that are more common in Perkins products. This article explains how to create your own script file in the Chemscript application in Chembiooffice.

All Chemscript script file examples are available in Python and c#/. NET. If you are familiar with these languages, you will find that these scripts are easy to understand. But if you're just touching c#/. NET or Python, we recommend that you refer to the relevant websites and books. Chemscript in Python and c#/. NET is available, and in this tutorial we will use Python to interpret chemscript. Python is a non-proprietary, widely used programming language.

1. Why use Chemscript?

Chemscript adds powerful features for managing chemical data. A with chemscript, you can modify, view, and enable customizations to transfer the data.

Here are a few common terms of use:

(1) Salt cracking and peeling: identify and remove fragments of salt in the drawing structure and record pure compounds.

(2) Spec code: Create a set of code for a structure specification and use it to find a facsimile in your data.

(3) file format conversion: Convert a structure or reaction file to another format

(4) Generation characteristics: Execution structure = name or physical performance characteristics produced in Chembiodraw.

(5) Common stent positioning: the standard orientation of establishing orientation structure based on a common substructure is implemented.

(6) Two-dimensional chart generation (SDG) and cleanup: Generate new two-dimensional structures with no coordinates from the join table, and use the Chembiodraw algorithm to clean up the existing two-dimensional structure.

2.How ChemScript Works

The most basic use of chemscript is to read data from one source, then use a script to modify the data and write the modified data to another location (such as). You can retrieve data from any database, file, or application.

The modified data is determined by the script. Scripts can delete, calculate, and add new data, or you can edit existing data. The data can be text, structure, or both. Similar to other Python scripts and network projects, you can execute scripts in Chemscript using Windows commands or any development environment.

(1) Start:

By default, when you install Chembiooffice on your local computer, Chemscript and Python 3.2 are installed at the same time. After installing the software, it is recommended that you familiarize yourself with the Chemscript by following the simple exercises in this section.

In order to edit the Chemscript file, we recommend that you choose one of the available programming tools. One of the idle programs in Python is the one that accompanies the installation. See the online Help main menu to learn more about idle information.

(2) Start idle:

From the Start menu, open All Programs, Python 3.2->idle (Python GUI). After Python starts, a python shell and a caption indicating Python and the idle version will open in Dle, and a: > > > Prompt will appear.

After mastering the above content, you can apply for creating your own script files in Chembiooffice chemscript, more tutorials can be found in the ChemDraw Chinese website.

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How to create a script file in Chemscript