Modar internal command:
resolveResidueOverlap
To resolve residues overlapping by delete some residues overlapped, for solvent building.
- Examples
#remove residues outside the box
removeresidueoutsidebox ext=4.0
#remove residues overlapped
resolveresidueoverlap cutoff=2.4 select="name OH2"
- Keywords
selection=<select expr>
Target atoms
Cutoff=<real>
The bad contact value
- Variables exported
none
Contact us
Phone: | 400-660-8656 | |
Email: | support@beemd.org |
我们长期和北京市计算中心合作提供计算培训服务,承接托管计算业务,如有需求请随时联系我们。