<html><head></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">Hi,<div><br></div><div>I've looked at the C++ transition for topology generation:</div><div><a href="http://www.gromacs.org/index.php?title=Developer_Zone/C++_Transition/Topology_generation_modules">http://www.gromacs.org/index.php?title=Developer_Zone/C%2b%2b_Transition/Topology_generation_modules</a></div><div><br></div><div>Are there any set plans for c++ topology generation?</div><div><br></div><div>Reason I ask is I've been working on a topology editing module that use the guts of grompp to fill read a topo_mol struct. The topo_mol is basically the core of a python extension, and this can write a modified topology out to .top file. </div><div><br></div><div>I'm also working on another project (fast multipole) which also needs this topology and charge information. </div><div><br></div><div>So, basically, what I'm thinking about is basically a set of C++ classes that wrap a topo_mol, can populate it via either the args to grompp, or from a binary .tpr. Essentially, this same class could do the topology generation / editing, and also be used in mdrun for reading the .tpr</div><div><br></div><div>The project I'm working on could really use a class like this. </div><div><br></div><div>So, any thoughts on the usefulness of such a class(s)? </div><div><br></div><div><br></div><div><br></div><div><br></div></body></html>