-
Notifications
You must be signed in to change notification settings - Fork 116
New issue
Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.
By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.
Already on GitHub? Sign in to your account
Probe could not be detected on your system. #928
Comments
Does
molprobity.probe input.pdb
work?
Cheers
Nigel
…---
Nigel W. Moriarty
Building 33R0349, Molecular Biophysics and Integrated Bioimaging
Lawrence Berkeley National Laboratory
Berkeley, CA 94720-8235
Email : ***@***.***
Web : CCI.LBL.gov
ORCID : orcid.org/0000-0001-8857-9464
On Wed, Sep 20, 2023 at 3:08 AM Gliese436c ***@***.***> wrote:
Hi,
I've installed cctbx-base using conda. I copied chem_data directory to
${CONDA_PREFIX}/lib/python3.11/site-packages/ and i had to export the
variable $CLIBD_MON for the monomers library.
I'm trying to run the following command:
import mmtbx.modelfrom mmtbx.validation import molprobityimport iotbx.pdb
pdb_inp = iotbx.pdb.input(file_name=file)model = mmtbx.model.manager(model_input = pdb_inp)a=molprobity.molprobity(model)a.molprobity_score()
but i get the following error:
RuntimeError: Probe could not be detected on your system. Please make sure Probe is in your path. Probe is available at http://kinemage.biochem.duke.edu/
I tried to move the probe binary in ${CONDA_PREFIX}/bin which is in the
path but it didn't work. How can i fix it?
—
Reply to this email directly, view it on GitHub
<#928>, or unsubscribe
<https://github.com/notifications/unsubscribe-auth/AAHYQPHGA7NV4SYP5AGDSPTX3K6BJANCNFSM6AAAAAA47U3CHU>
.
You are receiving this because you are subscribed to this thread.Message
ID: ***@***.***>
|
I don't have molprobity.probe, just molprobity.probescore_ligand. I forgot to say that I'm using conda from mambaforge. Thanks |
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
Hi,
I've installed cctbx-base using conda. I copied
chem_data
directory to${CONDA_PREFIX}/lib/python3.11/site-packages/
and i had to export the variable$CLIBD_MON
for the monomers library.I'm trying to run the following command:
but i get the following error:
I tried to move the probe binary in
${CONDA_PREFIX}/bin
which is in the path but it didn't work. How can i fix it?The text was updated successfully, but these errors were encountered: