* Changes in the installer required changes for codes that installed background codes, like PACKMOL. This update allows PACKMOL to be automatically installed.
2025.1.29
* The configuration for the executable was not set up correctly. * There was a bug due to change in the SMILES interface for configurations.
2024.7.25
* The initial setup of the packmol.ini file did not add the information for Conda. This release fixes that problem.
2024.6.29 -- Bugfix: bonding incorrect in some cases. * The use of PDB with Packmol could in some cases lead to multiple bonds in the wrong place. This release fixes that problem.
2024.6.21.2 -- Another internal release for Docker.
2024.6.21.1
* There was an internal issue creating the Docker image.
2024.6.21
* Using RDKit for SMILES since we found some issues with OpenBabel, and also the atom typing uses RDKit, so this is more compatible.
2024.3.19
* packmol-step-installer now uses the new scheme, which supports both Conda and Docker installation. * Added seamm-packmol Docker image