OEGetHelmChainNames

Attention

This is a preliminary API and may be improved based on user feedback. It is currently available in C++ and Python.

std::vector<std::string> OEGetHelmChainNames(const std::string& helm)

Returns the chain names present in the given HELM string.

For example, in case of input "PEPTIDE1{F.A}|CHEM1{[Fmoc]}$PEPTIDE1,CHEM1,1:R1-1:R1$$$" it will return PEPTIDE1 and CHEM1.

Warning

The OEGetHelmChainNames function does not perform full validation or parsing of the HELM string. It is intended for quickly extracting information from an already validated HELM.