Add Nextflow pipeline for PROPKA with Docker configuration

nextflow.config

@@ -0,0 +1,37 @@
+// Manifest for Nextflow metadata
+manifest {
+    name = 'PROPKA-Nextflow'
+    author = 'Generated from PROPKA repository'
+    homePage = 'https://github.com/jensengroup/propka'
+    description = 'Nextflow pipeline for PROPKA - Empirical pKa prediction for proteins and protein-ligand complexes'
+    mainScript = 'main.nf'
+    version = '1.0.0'
+}
+
+// Global default parameters
+params {
+    pdb = "/mnt/OmicNAS/private/old/olamide/propka/input/1HPX.pdb"
+    outdir = "/mnt/OmicNAS/private/old/olamide/propka/output"
+    ph = 7.0
+    options = ""
+}
+
+// Container configurations
+docker {
+    enabled = true
+    runOptions = ''
+}
+
+// Process configurations
+process {
+    cpus = 1
+    memory = '4 GB'
+}
+
+// Execution configurations
+executor {
+    $local {
+        cpus = 2
+        memory = '4 GB'
+    }
+}