Dear colleagues, We are very glad to announce the first version of PyVibMS -- a PyMOL plugin designed to visualize vibrations in molecules and solids, and the code has been deposited in GitHub (https://github.com/smutao/PyVibMS).
PyVibMS has two major functionalities - Visualize the structure of molecules and solids (with lattice vector information), chemical bonding will be automatically detected based on distance - Animate vibrations with or without arrows, these animations can be exported via PyMOL's encoder interface Current version of PyVibMS can natively process the vibrational analysis result calculated by (1) Gaussian 09/16, (2) Q-Chem, (3) CRYSTAL17 and (4) VASP. Other quantum chemical packages are supported in a generic way with a formatted mode input file. This plugin used a cgo-arrow script ( https://pymolwiki.org/index.php/Cgo_arrow) made by Dr. Thomas Holder. And we also like to thank other PyMOL developers who made this plugin based on PyQT possible. If you find PyVibMS plugin useful in your research, please cite our work "Tao, Y., et al., J. Mol. Model. 2020, 26, 290 <https://link.springer.com/article/10.1007/s00894-020-04508-z>". If you have any comments and suggestions, we are more than happy to hear your thoughts. Best regards, Y. Tao
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