Not accessing installed DSSP from bio3d
Issue #719
closed
Hi, I installed DSSP but it the installation is called mkhssp instead. When I try to run DSSP in bio3d it throws the error:
input: dssp(pdb)
output: Error in .get.exepath(exefile) : could not determine path to 'dssp'
When I try to point it towards mkhssp (which is correctly installed - i can call it from anywhere in terminal) I get the error:
input:
dssp(pdb)
output:
Error in paste(exefile, ver) : object 'ver' not found
R version 3.5.3 (2019-03-11) Platform: x86_64-apple-darwin15.6.0 (64-bit) Running under: macOS 10.15.3
Do you have any sense of why bio3d is not able to access DSSP/mkhssp? Thanks, Willow
Comments (2)
-
-
- changed status to closed
No reply
- Log in to comment
Hi, you can explicitly tell the function what command (and also the path if you choose to) you want to call. For example,
dssp(pdb, exefile='mkdssp')
.