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akohlmey / topotools

VMD plugin for manipulating topology information
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writepsf write psf without segname #20

Closed shuxiansheng2 closed 3 years ago

shuxiansheng2 commented 3 years ago

dear professor, could you improve this function with writing segment name using segname attribute in vmd ?

akohlmey commented 3 years ago

dear professor, could you improve this function with writing segment name using segname attribute in vmd ?

a) this has nothing to do with the topotools plugin. b) VMD can only write out information that you provide. If you read a molecule from a file format that does not provide a segname property, you have to add it later via VMD script commands. If you don't then you having it written is your fault, not something in VMD that needs correction.