diff --git a/extras/data_generation/structure_db/README b/extras/data_generation/structure_db/README index 227313066aa288d29d215b5309f38ceab4689116..ed5115ddf021c6095061af6b05ae971248816da0 100644 --- a/extras/data_generation/structure_db/README +++ b/extras/data_generation/structure_db/README @@ -28,3 +28,13 @@ BUT BE AWARE, THE ACCORDING FREQUENCIES IN THE DATABASE WILL BE SET TO 0.0! initial database generated in step 2: use assign_structure_profiles.py to perform this task + +To qualitatively reproduce the default StructuralDB in ProMod3, you first +perform step 1 and 2 with a non redundant set of protein structures as +defined by PISCES with around 25000 chains (e.g. seq id threshold: 90, +resolution threshold: 2.2). +Repeat step 1 and 2 with a smaller PISCES list (5000-6000 entries, +e.g. seq id threshold: 25 , resolution threshold: 1.8). +The first database serves as default StructureDB and the second db as +the source db for the structural profiles generated in steps 3-5. +