5 Commits

Author	SHA1	Message	Date
Mickaël Véril	e0a4d09cea	Fix ,, in xyz	2020-10-27 17:08:25 +01:00
Mickaël Véril	2e01ca99d2	Fix molecules metadata	2020-09-28 16:13:00 +02:00
Mickaël Véril	d77fb78cc9	Add molecule parameter to each XYZ	2020-09-27 17:08:30 +02:00
Mickaël Véril	f45f0f0436	Fix BeF filename case	2020-09-27 16:27:43 +02:00
Mickaël Véril	01ea5ccbb6	Organize structures by sets not by DOI	2020-09-02 10:01:42 +02:00