no show from showmol

[WenchangLu]

Recently I have problem with showmol in streamlit.
The following example does not work when I run "streamlit run ex.py"
Can you please help me on this.

from stmol import showmol
import py3Dmol

1A2C

Structure of thrombin inhibited by AERUGINOSIN298-A from a BLUE-GREEN ALGA

xyzview = py3Dmol.view(query='pdb:1A2C')
xyzview.setStyle({'cartoon':{'color':'spectrum'}})
showmol(xyzview, height = 500,width=800)

[C-Marquet]

I have the same problem when I run streamlit locally (i checked streamlit version 1.17.0 and version 1.16.0), while works in the cloud version (streamlit version 1.16.0). the implementations are the same, and i haven't checked any other version differences

[napoles-uach]

Hi, @WenchangLu sorry for the delay. Also for you @C-Marquet, could you try to install py3dmol in this way?
pip install py3Dmol==2.0.0.post2

Let me know if this work.

[C-Marquet]

perfect that worked thanks!

[WenchangLu]

Hi C-Marquet, Thanks for your help. With py3dmol==2.0.0.post2, the stmol example works perfectly. In my application, I have the following to add to the view. the first addVolumetricData works fine but addModel does not work. addModel will also destroy the view from addVolumetricData Any idea to fix this? Wenchang rho_view.addVolumetricData(rho_data, "cube", {'isoval': isosurface_value, 'color': iso_color, 'opacity': 0.85}) rho_view.addModel(rho_data, "cube", 'mol')

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On Wed, Jan 25, 2023 at 10:16 AM C-Marquet ***@***.***> wrote: perfect that worked thanks! — Reply to this email directly, view it on GitHub <#40 (comment)>, or unsubscribe <https://github.com/notifications/unsubscribe-auth/ALXCDDROYKSTU4ICZI5Z6XLWUE7VXANCNFSM6AAAAAAT7PIN24> . You are receiving this because you were mentioned.Message ID: ***@***.***>