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Implement System generation from output files

enhancementNew feature or requestNew feature or request

good first issueGood for newcomersGood for newcomers

Status: Open.

#110 In GES-compchem/GES-comp-echem;

· lbabetto opened on Jul 10, 2023

Write a developer's guide

Status: Open.

#108 In GES-compchem/GES-comp-echem;

· ghost opened on May 25, 2023

Implement pKa calculation using CREST built-in function

enhancementNew feature or requestNew feature or request

Status: Open.

#82 In GES-compchem/GES-comp-echem;

· ghost opened on Jan 19, 2023

Define standard coloring scheme for VMD based render tools

enhancementNew feature or requestNew feature or request

good first issueGood for newcomersGood for newcomers

priority-lowIssue has a low priorityIssue has a low priority

Status: Open.

#76 In GES-compchem/GES-comp-echem;

· ghost opened on Jan 4, 2023

NAMD engine implementation

enhancementNew feature or requestNew feature or request

Status: Open.

#74 In GES-compchem/GES-comp-echem;

· ghost opened on Dec 27, 2022

The VMD labels overlap with the 3D representation of atoms and bonds

enhancementNew feature or requestNew feature or request

help wantedExtra attention is neededExtra attention is needed

priority-lowIssue has a low priorityIssue has a low priority

Status: Open.

#73 In GES-compchem/GES-comp-echem;

· ghost opened on Dec 27, 2022