--- 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