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The Biochemical Algorithms Library

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On Windows 10/MSVC 14, package creation fails when certain (optional) components have not been built: ``` CPack: Create package CPack Error: Problem running NSIS command: "C:/Program Files (x86)/NSIS/makensis.exe" "C:/Users/admin/git/ball/build15/_CPack_Packages/win64/NSIS/project.nsi" Please...

C: Buildsystem
T: defect

**Reported by odin on 2 Feb 43145393 19:48 UTC** None

C: Buildsystem
P: minor

**Reported by nicste on 20 Jan 42413620 05:56 UTC** Our Jenkins projects for Debug builds on Windows run with disabled python support, caused by the lack of python debug libs...

C: Buildsystem
P: major
T: task

**Reported by pthiel on 26 Jan 44023965 07:14 UTC** The SDFile class of BALL provides a function disableAtoms() to prevent reading of the atom block. This is pretty useful for...

C: BALL Core
P: minor
T: enhancement

**Reported by nicste on 30 Jun 39197492 00:00 UTC** Add molecular dynamics button Add single point calculation button Add force field combo box to directly switch the force field in...

C: VIEW
P: major
T: enhancement

**Reported by till on 3 Oct 38777714 16:53 UTC** It seems that there are two different aromatic bond representations (in an aromatic ring) like: ``` ===== ``` # (shorter bond...

C: VIEW
P: minor
T: enhancement

**Reported by akdehof on 10 Aug 39651794 19:33 UTC** The FragmentDB has no rules for methylized nucleotides and therefore no Ribbon or Cartoon model can be generated. Nasty looking remedy:...

C: FragmentDB
P: major
T: enhancement

**Reported by mkonietzko on 7 Sep 42126909 23:46 UTC** Angenomen man startet das programm und baut mittels editor zwei ethanmolekle. zur besseren unterscheidung entscheidet man sich ein molekl zu markieren...

C: VIEW
P: minor
T: enhancement

**Reported by dstoeckel on 22 Jun 43068096 19:09 UTC** There is a problem with Windows and File::createTemporaryFilename(): Some code in BALL will fail, if the user is not in a...

C: Other
P: major
T: enhancement

**Reported by mkonietzko on 23 Aug 42142775 16:24 UTC** Wenn man auf Berechnung der Bindungsordnung klickt gibt es keinen Anwenden-Button. Man kann zwar ein Hkchen bei "auf ausgewhltes System anwenden"...

C: VIEW
P: minor
T: enhancement