openmolecules.org

 
Home » DataWarrior » Functionality » macro comments (can non-coding commentaries be included into the DW macros?)
Re: macro comments [message #2323 is a reply to message #2270] Wed, 23 October 2024 12:23 Go to previous messageGo to previous message
juliocoll is currently offline  juliocoll
Messages: 33
Registered: January 2023
Location: Madrid SPAIN
Member
After trying many alternatives, the best way to include non-coded information on long DW macros may be to insert comments on "show message" tasks.
It may slow down the macro execution but have no other alternative to be somehow self-explanatory.

For example:

<task name="showMessage">
message= NOW THE VISIBLE ROWS WILL BE SAVED TO C:/....
</task>

Another example of use is included into the NTN macro for semi-automatically save all information on raw dwar and toxicity-filtered and mmff94s+ conformer sdf files for Vina, after running a DW Build Evolutionary Library

Hope it may serve to other DW macro-designers !
  • Attachment: NTN.dwam
    (Size: 1.69KB, Downloaded 26 times)


Julio Coll
Profesor de Investigación. Emérito
Dpt.Biotecnología
CSIC-centro Nacional INIA, Madrid, SPAIN
Dr. Biologia Univ.Comp(UCM). Madrid, Spain
PHD. Biology Mass.Inst,Technol (MIT). Massachusetts, USA
orcid: 0000-0001-8496-3493

Report message to a moderator

[Message index]
 
Read Message
Read Message
Read Message
Read Message
Read Message
Previous Topic: python usage
Next Topic: polycyclic molecule displaying issue
Goto Forum:
  

[ Syndicate this forum (XML) ] [ RSS ] [ PDF ]

Current Time: Fri Nov 22 06:24:21 CET 2024

Total time taken to generate the page: 0.03939 seconds
openmolecules.org