ShelXle

ShelXle is a cool tool that helps crystallographers make sense of all that tricky data related to crystal structures. It’s designed to be super user-friendly, so you can easily visualize crystal structures, input your data, and keep track of how your refinement process is going—all in one place!

Easy Visualization and Data Handling

This program has an intuitive interface that makes handling three-dimensional structural info a breeze. On the left side, you can see a graphic representation of the crystal structure you're working on. Meanwhile, the right side gives you extra details about it. How neat is that?

Convenient Information Storage

One cool feature is that all the data from the information window gets stored as HTML files. This means you can easily copy and paste it into your favorite word-processing programs for further analysis.

Detailed Crystallographic Data

The information window doesn’t just stop at basic details; it also shows crystallographic symmetry operators along with specific measurements like distances, angles, torsion angles, and differences in mean-square displacement amplitudes (DMSDAs). This gives crystallographers a central spot for important info.

Understanding Electron Density Maps

You’ll also find valuable statistical details about electron density maps here. Plus, it shows you how frequently free variables are used, making everything more transparent for researchers.

User-Friendly Coding Features

ShelXle includes syntax highlighting to help you read SHELXL commands better. It uses a dark red over light green palette to make commands pop! Permanent comments are in blue shades while temporary comments have their own unique style.

Coding Made Simple

If any line goes beyond 80 characters, it gets highlighted with a distinctive red background. This is because anything past column 80 was ignored by SHELXL back in the day when punched cards were used!

Smart Suggestions and Tools

The editor even suggests commands as you type! It’s great for keeping your coding experience smooth and efficient. Plus, it tracks 'free variables' so you get helpful hints just by hovering over them. You’ll also find atom selection tools and easy search-and-replace options to spice things up.

A Complete Workflow Solution

Overall, ShelXle's editor fits perfectly into the crystallographic workflow with loads of features tailored for precision and efficiency. If you're interested in downloading this amazing software for your research needs, check out this link!