August 27, 2025 by Thomas Sander & Christian Loeffeld

DataWarrior v6.5 is released!

𝗗𝗮𝘁𝗮𝗪𝗮𝗿𝗿𝗶𝗼𝗿 𝘃𝟲.𝟱 𝗶𝘀 𝗿𝗲𝗹𝗲𝗮𝘀𝗲𝗱 𝘄𝗶𝘁𝗵 𝘀𝗶𝗴𝗻𝗶𝗳𝗶𝗰𝗮𝗻𝘁 𝘂𝗽𝗱𝗮𝘁𝗲𝘀 𝗮𝗻𝗱 𝗶𝗺𝗽𝗿𝗼𝘃𝗲𝗺𝗲𝗻𝘁𝘀!

𝗞𝗲𝘆 𝗘𝗻𝗵𝗮𝗻𝗰𝗲𝗺𝗲𝗻𝘁𝘀 🧬

The quality of structures loaded from 𝗣𝗗𝗕 𝗳𝗶𝗹𝗲𝘀 𝗮𝗻𝗱 𝘁𝗵𝗲 𝗣𝗗𝗕 𝗱𝗮𝘁𝗮𝗯𝗮𝗻𝗸 𝗵𝗮𝘀 𝗯𝗲𝗲𝗻 𝘀𝘂𝗯𝘀𝘁𝗮𝗻𝘁𝗶𝗮𝗹𝗹𝘆 𝗶𝗺𝗽𝗿𝗼𝘃𝗲𝗱. A major addition is the 𝗻𝗲𝘄 𝘀𝘂𝗽𝗽𝗼𝗿𝘁 𝗳𝗼𝗿 𝘁𝗵𝗲 𝗺𝗺𝗖𝗜𝗙 𝗳𝗶𝗹𝗲 𝗳𝗼𝗿𝗺𝗮𝘁, both from local files and the PDB databank. Complementing this, the 𝗱𝗶𝘀𝗽𝗹𝗮𝘆 𝗮𝗻𝗱 𝗵𝗮𝗻𝗱𝗹𝗶𝗻𝗴 𝗼𝗳 𝟯𝗗 𝘀𝘁𝗿𝘂𝗰𝘁𝘂𝗿𝗲𝘀 𝗵𝗮𝘃𝗲 𝗯𝗲𝗲𝗻 𝗿𝗲𝗳𝗶𝗻𝗲𝗱 for a better user experience.

To support research, updated downloadable collections of 𝗼𝘃𝗲𝗿 𝟮𝟬𝟬,𝟬𝟬𝟬 𝗣𝗗𝗕 𝗯𝗶𝗻𝗱𝗶𝗻𝗴 𝘀𝗶𝘁𝗲𝘀 are now available in DataWarrior format on openmolecules.org.

𝗕𝘂𝗴 𝗙𝗶𝘅𝗲𝘀 & 𝗜𝗺𝗽𝗿𝗼𝘃𝗲𝗺𝗲𝗻𝘁𝘀 🛠️

A 𝘀𝗲𝗿𝗶𝗼𝘂𝘀 𝗶𝘀𝘀𝘂𝗲 𝗮𝗳𝗳𝗲𝗰𝘁𝗶𝗻𝗴 𝟯𝗗-𝘀𝗰𝗮𝗳𝗳𝗼𝗹𝗱 𝗿𝗲𝗽𝗹𝗮𝗰𝗲𝗺𝗲𝗻𝘁 𝗮𝗻𝗱 𝟯𝗗-𝗹𝗶𝗻𝗸𝗶𝗻𝗴 𝗳𝗼𝗿 𝗺𝗮𝗰𝗿𝗼-𝗰𝘆𝗰𝗹𝗲 𝗳𝗼𝗿𝗺𝗮𝘁𝗶𝗼𝗻 𝗵𝗮𝘀 𝗯𝗲𝗲𝗻 𝗳𝗶𝘅𝗲𝗱. The release also includes numerous smaller improvements and bug fixes to enhance overall stability and performance.

Check out DataWarrior on openmolecules.org.