<html><body><div style="color:#000; background-color:#fff; font-family:HelveticaNeue-Light, Helvetica Neue Light, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif;font-size:16px"><div dir="ltr" id="yui_3_16_0_1_1420742169275_761318">hi,</div><div id="yui_3_16_0_1_1420742169275_761324" dir="ltr">I am making a large deposit to the pdb. To convert it to cif i used</div><div id="yui_3_16_0_1_1420742169275_761326" dir="ltr">phenix.pdb_as_cif model.pdb</div><div id="yui_3_16_0_1_1420742169275_761620" dir="ltr"><br></div><div id="yui_3_16_0_1_1420742169275_761421" dir="ltr">it looks like the ANISOU lines lose chain information.</div><div id="yui_3_16_0_1_1420742169275_761434" dir="ltr">the PDB responded with this comment</div><div id="yui_3_16_0_1_1420742169275_761433" dir="ltr"><br></div><div id="yui_3_16_0_1_1420742169275_761432" dir="ltr">"The model coordinates file you output from Phenix is not complete. In
the cif format file you deposited, if you look at the cif item
_atom_site_anisotrop.pdbx_</div><div style="" id=":1jx" class=""><wbr style="" class="">auth_asym_id, i.e. the column 5 of the Aniso section, you see value for every atom is dot ("."). <br style="" class=""><br style="" class=""><div id="yui_3_16_0_1_1420742169275_761431">The _atom_site_anisotrop.pdbx_<wbr style="" class="">auth_asym_id
is just like the chain ID in the legacy PDB format, it should be
consistent with the values of cif item _atom_site.auth_asym_id in the
xyz section, otherwise there is no way to map between xyz Cartesian
values and aniso values that are now separated in two sections."</div><div id="yui_3_16_0_1_1420742169275_761436"><br></div><div dir="ltr" id="yui_3_16_0_1_1420742169275_761437">Do you reccomend another way to convert it to cif ?<br></div><div id="yui_3_16_0_1_1420742169275_761438"><br></div><div id="yui_3_16_0_1_1420742169275_761626" dir="ltr">Thanks</div><div id="yui_3_16_0_1_1420742169275_761792" dir="ltr">jpd<br></div><div id="yui_3_16_0_1_1420742169275_761439"><br></div><div id="yui_3_16_0_1_1420742169275_761793"><br></div></div><div id="yui_3_16_0_1_1420742169275_761794" style="" class="" dir="ltr"> </div></div></body></html>