 ../
|
TinkerRunner.java
|
343
(17 years ago)
by stehr:
fixed bug when running distgeom, now waiting for process to exit before checking exit status
|
|
TinkerError.java
|
323
(17 years ago)
by duarte:
Moved tinker stuff to its own package
|
|
PRMInfo.java
|
335
(17 years ago)
by duarte:
Now ConstraintsMaker works also for multi atom contact types (BB and SC) and crosses (either BB/SC or any cross to a single atom contact type)
New file aapairsBounds.dat with values for aminoacid side chains distance lower and upper bounds taken from statistics of a set of pdb representatives
New in AAinfo: aapairs2bounds and changed getUpperBoundDistance, getUpperBoundDistance to accomodate aapairs2bounds
PRMInfo: now for amber "OXT" gets transformed into "O"
|
|
ConstraintsMaker.java
|
338
(17 years ago)
by duarte:
Initial commit of reconstruct script. Works only sometimes!! Some others doesn't run distgeom without apparent reason!
Throwing less exceptions in ConstraintsMaker
|
