Hello Qinhong-- > > I have tried a lot of server and software to do this. However, the naming of > hydrogen always doesn't fit Xplor-NIH. Is there any way to add hydrogen to > crystal structure so that it can be used as a starting structure? >
Certainly. Just calling import regularize regularize.addUnknownAtoms_new() after loading psf and coordinates should do the trick. best regards-- Charles _______________________________________________ Xplor-nih mailing list [email protected] https://dcb.cit.nih.gov/mailman/listinfo/xplor-nih
