--- 1201_refmac5_review-orig.log.html 2008-02-12 15:32:17.000000000 +0000 +++ 1201_refmac5_review-mod.log.html 2008-02-12 15:24:57.000000000 +0000 @@ -160,6 +160,7 @@ I am reading library. Please wait. mon_lib.cif + WARNING : CIS peptide bond is found, angle = 6.48 ch:AA res: 204 LYS-D --> 205 GLY WARNING : description of link:LYS-D-GL is not in the dictionary. @@ -174,6 +175,7 @@ link will be created with bond_lenth = 1.420 WARNING : link:LYS-D-GL is found dist = 1.183 ideal_dist= 1.420 ch:AA res: 203 LYS-D at:O .->AA res: 205 GLY at:CA . + -------------------------------- --- title of input coord file --- @@ -198,6 +200,8 @@ I am writing new library: /y/people/ccp4/projects/testing/final_pdbset1_refmac1-coot-0.cif + +$TEXT:Warning: $$ comment $$ Important, Important, Important!!!!! Your coordinate file has a ligand which has either minimum or no description in the library @@ -211,6 +215,7 @@ If you are happy with the library description then use the keyword (MAKE CHECK NONE) I.e. do not check correctness of the coordinates ===> Error: New ligand has been encountered. Stopping now + Refmac_5.4.0065: New ligand has been encountered. Stopping now