<div dir="ltr"><div><div><div><div><div>Hi all,<br><br></div>I am working on a 1.8A structure with hydrogens. They are all fine, except the 3 Nterminal ones: they drift (far) away from their initial position upon refinement.<br>
<br></div>As a workaround I froze these atoms during refinement (with a .Gelly file mentioning CONSTANT XYZ A|1:H1 etc.), but I was wondering if there is a more 'elegant' way to restraint them?<br><br></div></div>
Thanks a lot in advance.<br><br></div>Kind regards,<br><br>Dr Marion Boudes<br>
Structural Virology<br>
Department of Biochemistry & Molecular Biology<br>
Building 76, Monash University<br>
Clayton, VIC 3800, Australia<br></div>