moorhen 0.0.1 → 0.6.2

package/baby-gru/monomers/h/HIS.cif

@@ -157,11 +157,11 @@ _chem_comp_tor.period
 HIS                  chi1           N          CA          CB          CG     180.000    10.0     3
 HIS                  chi2          CA          CB          CG         CD2    -120.000    10.0     6
 HIS             sp3_sp3_1           C          CA           N           H     180.000    10.0     3
-HIS            sp2_sp2_17         NE2         CD2          CG         ND1       0.000     5.0     2
-HIS            sp2_sp2_13          CG         CD2         NE2         CE1       0.000     5.0     2
-HIS             sp2_sp2_5         NE2         CE1         ND1          CG       0.000     5.0     2
-HIS             sp2_sp2_9         ND1         CE1         NE2         CD2       0.000     5.0     2
-HIS             sp2_sp2_1         CD2          CG         ND1         CE1       0.000     5.0     2
+HIS              const_17         NE2         CD2          CG         ND1       0.000     0.0     2
+HIS              const_13          CG         CD2         NE2         CE1       0.000     0.0     2
+HIS       const_sp2_sp2_5         NE2         CE1         ND1          CG       0.000     0.0     2
+HIS       const_sp2_sp2_9         ND1         CE1         NE2         CD2       0.000     0.0     2
+HIS       const_sp2_sp2_1         CD2          CG         ND1         CE1       0.000     0.0     2
 HIS             sp2_sp3_1           O           C          CA           N       0.000    10.0     6
 loop_
 _chem_comp_chir.comp_id

package/baby-gru/moorhen.css

@@ -0,0 +1,280 @@
+body {
+  margin: 0;
+  font-family: -apple-system, BlinkMacSystemFont, 'Segoe UI', 'Roboto', 'Oxygen',
+    'Ubuntu', 'Cantarell', 'Fira Sans', 'Droid Sans', 'Helvetica Neue',
+    sans-serif;
+  -webkit-font-smoothing: antialiased;
+  -moz-osx-font-smoothing: grayscale;
+}
+  
+code {
+  font-family: source-code-pro, Menlo, Monaco, Consolas, 'Courier New', monospace;
+}
+
+.App {
+  text-align: center;
+}
+  
+.App-logo {
+  height: 40vmin;
+  pointer-events: none;
+}
+  
+@media (prefers-reduced-motion: no-preference) {
+  .App-logo {
+    animation: App-logo-spin infinite 20s linear;
+  }
+}
+  
+.App-header {
+  background-color: #282c34;
+  min-height: 100vh;
+  display: flex;
+  flex-direction: column;
+  align-items: center;
+  justify-content: center;
+  font-size: calc(10px + 2vmin);
+  color: white;
+}
+  
+.App-link {
+  color: #61dafb;
+}
+  
+@keyframes App-logo-spin {
+  from {
+    transform: rotate(0deg);
+  }
+  
+  to {
+    transform: rotate(360deg);
+  }
+}
+ 
+.baby-gru.flatly h3 {
+  color: black !important;
+}
+  
+.baby-gru.darkly h3 {
+  color: white !important;
+}
+  
+div.darkly text {fill:#888 !important;}
+div.darkly text.base {fill:#000!important;}
+div.darkly text.start-label {fill:#FFF !important;}
+div.darkly text.end-label {fill:#FFF !important;}
+
+.tab-content{
+  height: calc(100% - 3rem);
+}
+
+.nav-tabs{
+  height: 3rem;
+}
+
+.big-validation-tool-container-row {
+  width: 100%;
+  margin: 0;
+  padding: 0;
+  height: calc(100% - 10rem);
+}
+
+.small-validation-tool-container-row {
+  width: 100%;
+  margin: 0;
+  padding: 0;
+  height: calc(100% - 19rem);
+}
+
+.carousel-control-next {
+  width: max(80px, 10vh) !important;
+  height: max(40px, 5vh) !important;
+}
+
+.carousel-control-prev {
+  width: max(80px, 10vh) !important;
+  height: max(40px, 5vh) !important;
+}
+
+.validation-plot-div{
+    height: calc(100%);
+}
+
+.hide-scrolling::-webkit-scrollbar {
+  width: 0px;
+  background: transparent; 
+  -webkit-padding-end: 16px;  
+}
+
+.stop-scrolling {
+  scrollbar-width: none;
+  height: 100%;
+  overflow: hidden;
+} 
+
+.validation-plot-container::-webkit-scrollbar {
+  width: 1rem;
+}
+   
+.validation-plot-container::-webkit-scrollbar-track {
+  box-shadow: inset 0 0 6px rgba(0, 0, 0, 0.3);
+}
+   
+.validation-plot-container::-webkit-scrollbar-thumb {
+  background-color: darkgrey;
+  outline: 1px solid slategrey;
+}
+
+.nav-link {
+    padding-right: 0.3rem !important;
+    padding-left: 0.3rem !important;
+    padding-top: 0rem !important;
+    padding-bottom: 0rem !important;
+}
+
+.nav-link::after {
+  display:none !important;
+}
+
+.nav-link::before {
+  display:none !important;
+}
+
+.map-colour-dropdown::after  {
+    display:none !important;
+}
+
+.context-button-popover .popover-arrow {
+  display: none !important;
+}
+
+.moorhen-notification-div {
+  box-shadow: 0px 3px 5px -1px rgba(0,0,0,0.2),0px 6px 10px 0px rgba(0,0,0,0.14),0px 1px 18px 0px rgba(0,0,0,0.12);
+  width: 14rem;
+  min-height: 3rem;
+  height: fit-content;
+  max-height: 10rem;
+  padding: 0.5rem;
+  display: flex;
+  border-radius: 2rem;
+  align-items: center;
+  align-content: center;
+  justify-content: center;
+}
+
+.moorhen-tooltip {
+  display: flex;
+  z-index: 9999;
+  padding: 2px 10px;
+  border-radius: 3;
+}
+
+.moorhen-warning-toast {
+  margin-top: 0.1rem;
+  margin-bottom: 0.1rem;
+  margin-left: 0.5rem;
+  margin-right: 0.5rem;
+}
+
+.moorhen-draggable-card {
+  box-shadow: 0px 3px 5px -1px rgba(0,0,0,0.2),0px 6px 10px 0px rgba(0,0,0,0.14),0px 1px 18px 0px rgba(0,0,0,0.12);
+}
+
+.moorhen-context-button {
+  box-shadow: 0px 3px 5px -1px rgba(0,0,0,0.2),0px 6px 10px 0px rgba(0,0,0,0.14),0px 1px 18px 0px rgba(0,0,0,0.12);
+  width: 4rem;
+  height: 4rem;
+  margin-top: 0.5rem;
+  margin-right: 0.5rem;
+  padding-right: 0.5rem;
+  padding-top: 0.5rem;
+  padding-bottom: 0.5rem;
+  padding-left: 0.5rem;
+}
+
+.moorhen-context-button:disabled > .moorhen-context-button__icon {
+  opacity: 0.15 !important;
+}
+
+.moorhen-context-button__icon {
+  padding: 0.1rem;
+  width: 100%;
+  height: 100%;
+}
+
+img.moorhen-context-button__icon {
+  height: 3rem;
+  width: 3rem;
+}
+
+.moorhen-input-group-check {
+  padding: 0.5rem;
+  width: 25rem;
+}
+
+.moorhen-form-group {
+  width: 20rem;
+  margin: 0.5rem;
+  margin-bottom: 1rem;
+}
+
+.moorhen-navbar-menu-item-icon {
+  height: 1.6rem;
+  margin-right: 0.3rem;
+  margin-left: 0.3rem;
+}
+
+.moorhen-navbar-menu-item {
+  margin-bottom: 0.5rem;
+  margin-right: 0.5rem;
+  margin-left: 0.5rem;
+  justify-content: left;
+  display: flex;
+  border-radius: 2rem;
+  box-shadow: 0px 2px 1px -1px rgba(0,0,0,0.2),0px 1px 1px 0px rgba(0,0,0,0.14),0px 1px 3px 0px rgba(0,0,0,0.12);
+}
+
+.moorhen-nav-popover {
+  border-width: 0;
+  margin-left: 1.5rem;
+  overflow-x: auto;
+  border-radius: 1.5rem;
+  box-shadow: 0px 2px 1px -1px rgba(0,0,0,0.2),0px 1px 1px 0px rgba(0,0,0,0.14),0px 1px 3px 0px rgba(0,0,0,0.12);
+}
+
+.moorhen-spinner {
+  height: 2rem !important;
+  margin-right: 0.5rem !important;
+  margin-left: 0.5rem !important;
+}
+
+.moorhen-hovered-atom-form {
+  height: 2rem !important;
+  width: 20rem !important;
+  border-radius: 1.5rem !important;
+  border-color: black !important;
+}
+
+.moorhen-accordion {
+  border-color: #f0f0f0;
+  border-style: solid;
+  border-width: 1px;
+}
+
+.moorhen-recording-icon {
+  box-shadow: 0 0px 6px;
+  color : red;
+  margin-right: 0.5rem;
+    animation: blink 3s steps(5, start) infinite;
+    -webkit-animation: blink 1s steps(5, start) infinite;
+  }
+  @keyframes blink {
+    to {
+      visibility: hidden;
+    }
+  }
+  @-webkit-keyframes blink {
+    to {
+      visibility: hidden;
+    }
+}

package/baby-gru/pixmaps/{map.svg → map-grey.svg}

@@ -2,33 +2,33 @@
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-   xmlns:svg="http://www.w3.org/2000/svg"
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-   xmlns:xlink="http://www.w3.org/1999/xlink"
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-   xmlns:inkscape="http://www.inkscape.org/namespaces/inkscape"
-   width="48"
-   height="48"
+   width="64"
+   height="64"
    id="svg2324"
    sodipodi:version="0.32"
-   inkscape:version="0.48.1 r9760"
-   sodipodi:docname="map.svg"
+   inkscape:version="1.1.2 (0a00cf5339, 2022-02-04)"
+   sodipodi:docname="map-grey.svg"
    inkscape:output_extension="org.inkscape.output.svg.inkscape"
-   version="1.1">
+   version="1.1"
+   xmlns:inkscape="http://www.inkscape.org/namespaces/inkscape"
+   xmlns:sodipodi="http://sodipodi.sourceforge.net/DTD/sodipodi-0.dtd"
+   xmlns:xlink="http://www.w3.org/1999/xlink"
+   xmlns="http://www.w3.org/2000/svg"
+   xmlns:svg="http://www.w3.org/2000/svg"
+   xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#"
+   xmlns:cc="http://creativecommons.org/ns#"
+   xmlns:dc="http://purl.org/dc/elements/1.1/">
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-         style="stop-color:#0000ff;stop-opacity:0;"
+         style="stop-color:#ffffff;stop-opacity:1"
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@@ -77,17 +77,20 @@
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package/baby-gru/pixmaps/moorhen-ligand.svg

@@ -0,0 +1,213 @@
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