Comments (1)
Inniag
commented on July 26, 2024
Hi Christian, thanks for reaching out.
Unfortunately, CHAP can not identify multiple pathways simultaneously, which rules out your option number 3. The other two options should both work and it is up to your personal preference which one you chose. The -pf-init-probe-pos exists for this purpose, but I have found it can sometimes be easier for scripting purposes to just position the ion channel in the box so that the center of the pore lies in the origin. How easy this would be in your case, you are in the best position to judge.
Hope this helps and best of luck with your research!
from chap.
Related Issues (20)
- Imported target "libgromacs" includes non-existent path HOT 1
- compiling the CHAP HOT 5
- error in pore path recognition. HOT 2
- The web link is not working HOT 1
- CMAKE ERROR when installing Chap (Version 0.9.1) on Ubuntu 20.04.2 LTS HOT 3
- Issue with "Make" command HOT 8
- Standard library logic error (bug): (exception type: St12out_of_range) vector::_M_range_check: __n (which is 2) >= this->size() (which is 2) HOT 12
- Pure bilayer system analysis
- "Number of frames read does not equal numberof frames analyised." HOT 1
- reading trajectory HOT 1
- Issues with python plotting graphs HOT 4
- how to set pf-init-probe-pos? HOT 1
- Plot against z-coordinates HOT 1
- pymol visualization issue HOT 1
- cmake error HOT 2
- Issue using the simg file HOT 4
- Errors related to make command, boost libraries and std cpp libraries while compiling CHAP HOT 2
- Regarding protein pore visualization HOT 1
- Error in protein pore profile calculation:
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from chap.