Closed tonigi closed 1 year ago
Yes I don't believe I ever implemented > < <= >= etc in atomselect for non-float values. At some point we switched from VMD atomselect to my own implementation in python so it's definitely missing some features. I guess this is a rather useful feature so I can add it in.
Hey @tonigi . I fixed it now on main branch https://github.com/Acellera/moleculekit/commit/2f7fe7641f29906ae3fad1711e4228cea8b23e55
I really need at some point get to simplifying the atomselect lexer/parser because I keep on adding edge cases which can be merged into simpler rules.
Numeric residue selections seem not to work any more?
RuntimeError: Failed to parse selection resid<200 with error Syntax error at ''<''